dichloromethane;methane;[methoxy(methyl)phosphoryl]oxymethane;2-methyl-5-pent-1-en-3-ylpyrimidine;2-methylpyrimidine-5-carbaldehyde;3-(2-methylpyrimidin-5-yl)pentanal;3-(2-methylpyrimidin-5-yl)pentan-1-ol;(E)-3-(2-methylpyrimidin-5-yl)prop-2-enal;(E)-3-(2-methylpyrimidin-5-yl)prop-2-en-1-ol;7-[(E)-prop-1-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-propyl-1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde

C96H155Cl2N18O9P — CID 160554609

About dichloromethane;methane;[methoxy(methyl)phosphoryl]oxymethane;2-methyl-5-pent-1-en-3-ylpyrimidine;2-methylpyrimidine-5-carbaldehyde;3-(2-methylpyrimidin-5-yl)pentanal;3-(2-methylpyrimidin-5-yl)pentan-1-ol;(E)-3-(2-methylpyrimidin-5-yl)prop-2-enal;(E)-3-(2-methylpyrimidin-5-yl)prop-2-en-1-ol;7-[(E)-prop-1-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-propyl-1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde

dichloromethane;methane;[methoxy(methyl)phosphoryl]oxymethane;2-methyl-5-pent-1-en-3-ylpyrimidine;2-methylpyrimidine-5-carbaldehyde;3-(2-methylpyrimidin-5-yl)pentanal;3-(2-methylpyrimidin-5-yl)pentan-1-ol;(E)-3-(2-methylpyrimidin-5-yl)prop-2-enal;(E)-3-(2-methylpyrimidin-5-yl)prop-2-en-1-ol;7-[(E)-prop-1-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-propyl-1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde (PubChem CID 160554609) has the molecular formula C96H155Cl2N18O9P and a molecular weight of 1807.29 g/mol. Its IUPAC name is dichloromethane;methane;[methoxy(methyl)phosphoryl]oxymethane;2-methyl-5-pent-1-en-3-ylpyrimidine;2-methylpyrimidine-5-carbaldehyde;3-(2-methylpyrimidin-5-yl)pentanal;3-(2-methylpyrimidin-5-yl)pentan-1-ol;(E)-3-(2-methylpyrimidin-5-yl)prop-2-enal;(E)-3-(2-methylpyrimidin-5-yl)prop-2-en-1-ol;7-[(E)-prop-1-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-propyl-1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde.

Molecular Properties

• Compound Name: dichloromethane;methane;[methoxy(methyl)phosphoryl]oxymethane;2-methyl-5-pent-1-en-3-ylpyrimidine;2-methylpyrimidine-5-carbaldehyde;3-(2-methylpyrimidin-5-yl)pentanal;3-(2-methylpyrimidin-5-yl)pentan-1-ol;(E)-3-(2-methylpyrimidin-5-yl)prop-2-enal;(E)-3-(2-methylpyrimidin-5-yl)prop-2-en-1-ol;7-[(E)-prop-1-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-propyl-1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde
• PubChem CID: 160554609
• Molecular Formula: C96H155Cl2N18O9P
• Molecular Weight: 1807.29 g/mol
• Exact Mass: 1805.13
• IUPAC Name: dichloromethane;methane;[methoxy(methyl)phosphoryl]oxymethane;2-methyl-5-pent-1-en-3-ylpyrimidine;2-methylpyrimidine-5-carbaldehyde;3-(2-methylpyrimidin-5-yl)pentanal;3-(2-methylpyrimidin-5-yl)pentan-1-ol;(E)-3-(2-methylpyrimidin-5-yl)prop-2-enal;(E)-3-(2-methylpyrimidin-5-yl)prop-2-en-1-ol;7-[(E)-prop-1-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-propyl-1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde
• SMILES: C.C.C.C.C.C.C.C.C.C/C=C/c1ccc2c(n1)NCCC2.C=CC(CC)c1cnc(C)nc1.CCC(CC=O)c1cnc(C)nc1.CCC(CCO)c1cnc(C)nc1.CCCc1ccc2c(n1)NCCC2.COP(C)(=O)OC.Cc1ncc(/C=C/C=O)cn1.Cc1ncc(/C=C/CO)cn1.Cc1ncc(C=O)cn1.ClCCl.O=Cc1ccc2c(n1)NCCC2
• InChI: InChI=1S/C11H16N2.C11H14N2.C10H16N2O.C10H14N2O.C10H14N2.C9H10N2O.C8H10N2O.C8H8N2O.C6H6N2O.C3H9O3P.CH2Cl2.9CH4/c2*1-2-4-10-7-6-9-5-3-8-12-11(9)13-10;2*1-3-9(4-5-13)10-6-11-8(2)12-7-10;1-4-9(5-2)10-6-11-8(3)12-7-10;12-6-8-4-3-7-2-1-5-10-9(7)11-8;2*1-7-9-5-8(6-10-7)3-2-4-11;1-5-7-2-6(4-9)3-8-5;1-5-7(3,4)6-2;2-1-3;;;;;;;;;/h6-7H,2-5,8H2,1H3,(H,12,13);2,4,6-7H,3,5,8H2,1H3,(H,12,13);6-7,9,13H,3-5H2,1-2H3;5-7,9H,3-4H2,1-2H3;4,6-7,9H,1,5H2,2-3H3;3-4,6H,1-2,5H2,(H,10,11);2-3,5-6,11H,4H2,1H3;2-6H,1H3;2-4H,1H3;1-3H3;1H2;9*1H4/b;4-2+;;;;;2*3-2+
• InChIKey: QYNAWNXWWDQCFJ-JMAYFFAKSA-N
• XLogP: 22.74
• TPSA: 373.71 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 22
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1807.29
LogP ≤ 5	22.74
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dichloromethane;methane;[methoxy(methyl)phosphoryl]oxymethane;2-methyl-5-pent-1-en-3-ylpyrimidine;2-methylpyrimidine-5-carbaldehyde;3-(2-methylpyrimidin-5-yl)pentanal;3-(2-methylpyrimidin-5-yl)pentan-1-ol;(E)-3-(2-methylpyrimidin-5-yl)prop-2-enal;(E)-3-(2-methylpyrimidin-5-yl)prop-2-en-1-ol;7-[(E)-prop-1-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-propyl-1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde?

The IUPAC name of dichloromethane;methane;[methoxy(methyl)phosphoryl]oxymethane;2-methyl-5-pent-1-en-3-ylpyrimidine;2-methylpyrimidine-5-carbaldehyde;3-(2-methylpyrimidin-5-yl)pentanal;3-(2-methylpyrimidin-5-yl)pentan-1-ol;(E)-3-(2-methylpyrimidin-5-yl)prop-2-enal;(E)-3-(2-methylpyrimidin-5-yl)prop-2-en-1-ol;7-[(E)-prop-1-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-propyl-1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde (CID 160554609) is dichloromethane;methane;[methoxy(methyl)phosphoryl]oxymethane;2-methyl-5-pent-1-en-3-ylpyrimidine;2-methylpyrimidine-5-carbaldehyde;3-(2-methylpyrimidin-5-yl)pentanal;3-(2-methylpyrimidin-5-yl)pentan-1-ol;(E)-3-(2-methylpyrimidin-5-yl)prop-2-enal;(E)-3-(2-methylpyrimidin-5-yl)prop-2-en-1-ol;7-[(E)-prop-1-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-propyl-1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde.

What is the SMILES notation for dichloromethane;methane;[methoxy(methyl)phosphoryl]oxymethane;2-methyl-5-pent-1-en-3-ylpyrimidine;2-methylpyrimidine-5-carbaldehyde;3-(2-methylpyrimidin-5-yl)pentanal;3-(2-methylpyrimidin-5-yl)pentan-1-ol;(E)-3-(2-methylpyrimidin-5-yl)prop-2-enal;(E)-3-(2-methylpyrimidin-5-yl)prop-2-en-1-ol;7-[(E)-prop-1-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-propyl-1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde?

The canonical SMILES for dichloromethane;methane;[methoxy(methyl)phosphoryl]oxymethane;2-methyl-5-pent-1-en-3-ylpyrimidine;2-methylpyrimidine-5-carbaldehyde;3-(2-methylpyrimidin-5-yl)pentanal;3-(2-methylpyrimidin-5-yl)pentan-1-ol;(E)-3-(2-methylpyrimidin-5-yl)prop-2-enal;(E)-3-(2-methylpyrimidin-5-yl)prop-2-en-1-ol;7-[(E)-prop-1-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-propyl-1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde is C.C.C.C.C.C.C.C.C.C/C=C/c1ccc2c(n1)NCCC2.C=CC(CC)c1cnc(C)nc1.CCC(CC=O)c1cnc(C)nc1.CCC(CCO)c1cnc(C)nc1.CCCc1ccc2c(n1)NCCC2.COP(C)(=O)OC.Cc1ncc(/C=C/C=O)cn1.Cc1ncc(/C=C/CO)cn1.Cc1ncc(C=O)cn1.ClCCl.O=Cc1ccc2c(n1)NCCC2.

What is the InChIKey of dichloromethane;methane;[methoxy(methyl)phosphoryl]oxymethane;2-methyl-5-pent-1-en-3-ylpyrimidine;2-methylpyrimidine-5-carbaldehyde;3-(2-methylpyrimidin-5-yl)pentanal;3-(2-methylpyrimidin-5-yl)pentan-1-ol;(E)-3-(2-methylpyrimidin-5-yl)prop-2-enal;(E)-3-(2-methylpyrimidin-5-yl)prop-2-en-1-ol;7-[(E)-prop-1-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-propyl-1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde?

The InChIKey is QYNAWNXWWDQCFJ-JMAYFFAKSA-N. The full InChI is InChI=1S/C11H16N2.C11H14N2.C10H16N2O.C10H14N2O.C10H14N2.C9H10N2O.C8H10N2O.C8H8N2O.C6H6N2O.C3H9O3P.CH2Cl2.9CH4/c2*1-2-4-10-7-6-9-5-3-8-12-11(9)13-10;2*1-3-9(4-5-13)10-6-11-8(2)12-7-10;1-4-9(5-2)10-6-11-8(3)12-7-10;12-6-8-4-3-7-2-1-5-10-9(7)11-8;2*1-7-9-5-8(6-10-7)3-2-4-11;1-5-7-2-6(4-9)3-8-5;1-5-7(3,4)6-2;2-1-3;;;;;;;;;/h6-7H,2-5,8H2,1H3,(H,12,13);2,4,6-7H,3,5,8H2,1H3,(H,12,13);6-7,9,13H,3-5H2,1-2H3;5-7,9H,3-4H2,1-2H3;4,6-7,9H,1,5H2,2-3H3;3-4,6H,1-2,5H2,(H,10,11);2-3,5-6,11H,4H2,1H3;2-6H,1H3;2-4H,1H3;1-3H3;1H2;9*1H4/b;4-2+;;;;;2*3-2+;;;;;;;;;;;;.

What are the key properties of dichloromethane;methane;[methoxy(methyl)phosphoryl]oxymethane;2-methyl-5-pent-1-en-3-ylpyrimidine;2-methylpyrimidine-5-carbaldehyde;3-(2-methylpyrimidin-5-yl)pentanal;3-(2-methylpyrimidin-5-yl)pentan-1-ol;(E)-3-(2-methylpyrimidin-5-yl)prop-2-enal;(E)-3-(2-methylpyrimidin-5-yl)prop-2-en-1-ol;7-[(E)-prop-1-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-propyl-1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde?

dichloromethane;methane;[methoxy(methyl)phosphoryl]oxymethane;2-methyl-5-pent-1-en-3-ylpyrimidine;2-methylpyrimidine-5-carbaldehyde;3-(2-methylpyrimidin-5-yl)pentanal;3-(2-methylpyrimidin-5-yl)pentan-1-ol;(E)-3-(2-methylpyrimidin-5-yl)prop-2-enal;(E)-3-(2-methylpyrimidin-5-yl)prop-2-en-1-ol;7-[(E)-prop-1-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-propyl-1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde has a molecular weight of 1807.29 g/mol, XLogP of 22.74, 22 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for dichloromethane;methane;[methoxy(methyl)phosphoryl]oxymethane;2-methyl-5-pent-1-en-3-ylpyrimidine;2-methylpyrimidine-5-carbaldehyde;3-(2-methylpyrimidin-5-yl)pentanal;3-(2-methylpyrimidin-5-yl)pentan-1-ol;(E)-3-(2-methylpyrimidin-5-yl)prop-2-enal;(E)-3-(2-methylpyrimidin-5-yl)prop-2-en-1-ol;7-[(E)-prop-1-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-propyl-1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde is sourced from PubChem (CID 160554609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).