ethane;6-hydroxy-2-methyl-3-phenylpyrimidin-4-one;propane;prop-1-ene

C22H38N2O2 — CID 143797360

IUPACethane;6-hydroxy-2-methyl-3-phenylpyrimidin-4-one;propane;prop-1-ene
SMILESC=CC.CC.CCC.CCC.Cc1nc(O)cc(=O)n1-c1ccccc1
InChIInChI=1S/C11H10N2O2.2C3H8.C3H6.C2H6/c1-8-12-10(14)7-11(15)13(8)9-5-3-2-4-6-9;3*1-3-2;1-2/h2-7,14H,1H3;2*3H2,1-2H3;3H,1H2,2H3;1-2H3
InChIKeyDRBFQCMIQRFRES-UHFFFAOYSA-N
MW362.56 g/mol
LogP6.30
Rot. Bonds1

About ethane;6-hydroxy-2-methyl-3-phenylpyrimidin-4-one;propane;prop-1-ene

ethane;6-hydroxy-2-methyl-3-phenylpyrimidin-4-one;propane;prop-1-ene (PubChem CID 143797360) has the molecular formula C22H38N2O2 and a molecular weight of 362.56 g/mol. Its IUPAC name is ethane;6-hydroxy-2-methyl-3-phenylpyrimidin-4-one;propane;prop-1-ene.

Molecular Properties

Compound Nameethane;6-hydroxy-2-methyl-3-phenylpyrimidin-4-one;propane;prop-1-ene
PubChem CID143797360
Molecular FormulaC22H38N2O2
Molecular Weight362.56 g/mol
Exact Mass362.29
IUPAC Nameethane;6-hydroxy-2-methyl-3-phenylpyrimidin-4-one;propane;prop-1-ene
SMILESC=CC.CC.CCC.CCC.Cc1nc(O)cc(=O)n1-c1ccccc1
InChIInChI=1S/C11H10N2O2.2C3H8.C3H6.C2H6/c1-8-12-10(14)7-11(15)13(8)9-5-3-2-4-6-9;3*1-3-2;1-2/h2-7,14H,1H3;2*3H2,1-2H3;3H,1H2,2H3;1-2H3
InChIKeyDRBFQCMIQRFRES-UHFFFAOYSA-N
XLogP6.30
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.56
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;6-hydroxy-2-methyl-3-phenylpyrimidin-4-one;propane;prop-1-ene?
The IUPAC name of ethane;6-hydroxy-2-methyl-3-phenylpyrimidin-4-one;propane;prop-1-ene (CID 143797360) is ethane;6-hydroxy-2-methyl-3-phenylpyrimidin-4-one;propane;prop-1-ene.
What is the SMILES notation for ethane;6-hydroxy-2-methyl-3-phenylpyrimidin-4-one;propane;prop-1-ene?
The canonical SMILES for ethane;6-hydroxy-2-methyl-3-phenylpyrimidin-4-one;propane;prop-1-ene is C=CC.CC.CCC.CCC.Cc1nc(O)cc(=O)n1-c1ccccc1.
What is the InChIKey of ethane;6-hydroxy-2-methyl-3-phenylpyrimidin-4-one;propane;prop-1-ene?
The InChIKey is DRBFQCMIQRFRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2.2C3H8.C3H6.C2H6/c1-8-12-10(14)7-11(15)13(8)9-5-3-2-4-6-9;3*1-3-2;1-2/h2-7,14H,1H3;2*3H2,1-2H3;3H,1H2,2H3;1-2H3.
What are the key properties of ethane;6-hydroxy-2-methyl-3-phenylpyrimidin-4-one;propane;prop-1-ene?
ethane;6-hydroxy-2-methyl-3-phenylpyrimidin-4-one;propane;prop-1-ene has a molecular weight of 362.56 g/mol, XLogP of 6.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-hydroxy-2-methyl-3-phenylpyrimidin-4-one;propane;prop-1-ene is sourced from PubChem (CID 143797360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).