(1Z)-N-[(4-chlorophenyl)methoxy]-1-(3-methyl-2,4-dihydropyrimidin-5-ylidene)ethanamine

C14H18ClN3O — CID 10474274

IUPAC(1Z)-N-[(4-chlorophenyl)methoxy]-1-(3-methyl-2,4-dihydropyrimidin-5-ylidene)ethanamine
SMILESC/C(NOCc1ccc(Cl)cc1)=C1/C=NCN(C)C1
InChIInChI=1S/C14H18ClN3O/c1-11(13-7-16-10-18(2)8-13)17-19-9-12-3-5-14(15)6-4-12/h3-7,17H,8-10H2,1-2H3/b13-11+
InChIKeyIJJYVMGYPNNJHC-ACCUITESSA-N
MW279.77 g/mol
LogP2.61
Rot. Bonds4

About (1Z)-N-[(4-chlorophenyl)methoxy]-1-(3-methyl-2,4-dihydropyrimidin-5-ylidene)ethanamine

(1Z)-N-[(4-chlorophenyl)methoxy]-1-(3-methyl-2,4-dihydropyrimidin-5-ylidene)ethanamine (PubChem CID 10474274) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is (1Z)-N-[(4-chlorophenyl)methoxy]-1-(3-methyl-2,4-dihydropyrimidin-5-ylidene)ethanamine.

Molecular Properties

Compound Name(1Z)-N-[(4-chlorophenyl)methoxy]-1-(3-methyl-2,4-dihydropyrimidin-5-ylidene)ethanamine
PubChem CID10474274
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name(1Z)-N-[(4-chlorophenyl)methoxy]-1-(3-methyl-2,4-dihydropyrimidin-5-ylidene)ethanamine
SMILESC/C(NOCc1ccc(Cl)cc1)=C1/C=NCN(C)C1
InChIInChI=1S/C14H18ClN3O/c1-11(13-7-16-10-18(2)8-13)17-19-9-12-3-5-14(15)6-4-12/h3-7,17H,8-10H2,1-2H3/b13-11+
InChIKeyIJJYVMGYPNNJHC-ACCUITESSA-N
XLogP2.61
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z)-N-[(4-chlorophenyl)methoxy]-1-(3-methyl-2,4-dihydropyrimidin-5-ylidene)ethanamine?
The IUPAC name of (1Z)-N-[(4-chlorophenyl)methoxy]-1-(3-methyl-2,4-dihydropyrimidin-5-ylidene)ethanamine (CID 10474274) is (1Z)-N-[(4-chlorophenyl)methoxy]-1-(3-methyl-2,4-dihydropyrimidin-5-ylidene)ethanamine.
What is the SMILES notation for (1Z)-N-[(4-chlorophenyl)methoxy]-1-(3-methyl-2,4-dihydropyrimidin-5-ylidene)ethanamine?
The canonical SMILES for (1Z)-N-[(4-chlorophenyl)methoxy]-1-(3-methyl-2,4-dihydropyrimidin-5-ylidene)ethanamine is C/C(NOCc1ccc(Cl)cc1)=C1/C=NCN(C)C1.
What is the InChIKey of (1Z)-N-[(4-chlorophenyl)methoxy]-1-(3-methyl-2,4-dihydropyrimidin-5-ylidene)ethanamine?
The InChIKey is IJJYVMGYPNNJHC-ACCUITESSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-11(13-7-16-10-18(2)8-13)17-19-9-12-3-5-14(15)6-4-12/h3-7,17H,8-10H2,1-2H3/b13-11+.
What are the key properties of (1Z)-N-[(4-chlorophenyl)methoxy]-1-(3-methyl-2,4-dihydropyrimidin-5-ylidene)ethanamine?
(1Z)-N-[(4-chlorophenyl)methoxy]-1-(3-methyl-2,4-dihydropyrimidin-5-ylidene)ethanamine has a molecular weight of 279.77 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-[(4-chlorophenyl)methoxy]-1-(3-methyl-2,4-dihydropyrimidin-5-ylidene)ethanamine is sourced from PubChem (CID 10474274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).