2-[(cyclopropylamino)methyl]-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one

C15H17N3O2 — CID 79441693

IUPAC2-[(cyclopropylamino)methyl]-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one
SMILESCc1ccc(-c2c(O)nc(CNC3CC3)[nH]c2=O)cc1
InChIInChI=1S/C15H17N3O2/c1-9-2-4-10(5-3-9)13-14(19)17-12(18-15(13)20)8-16-11-6-7-11/h2-5,11,16H,6-8H2,1H3,(H2,17,18,19,20)
InChIKeyNCKGPDQRPAUSFR-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.70
Rot. Bonds4

About 2-[(cyclopropylamino)methyl]-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one

2-[(cyclopropylamino)methyl]-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one (PubChem CID 79441693) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one
PubChem CID79441693
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-[(cyclopropylamino)methyl]-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one
SMILESCc1ccc(-c2c(O)nc(CNC3CC3)[nH]c2=O)cc1
InChIInChI=1S/C15H17N3O2/c1-9-2-4-10(5-3-9)13-14(19)17-12(18-15(13)20)8-16-11-6-7-11/h2-5,11,16H,6-8H2,1H3,(H2,17,18,19,20)
InChIKeyNCKGPDQRPAUSFR-UHFFFAOYSA-N
XLogP1.70
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[(cyclopropylamino)methyl]-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one (CID 79441693) is 2-[(cyclopropylamino)methyl]-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one is Cc1ccc(-c2c(O)nc(CNC3CC3)[nH]c2=O)cc1.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one?
The InChIKey is NCKGPDQRPAUSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-9-2-4-10(5-3-9)13-14(19)17-12(18-15(13)20)8-16-11-6-7-11/h2-5,11,16H,6-8H2,1H3,(H2,17,18,19,20).
What are the key properties of 2-[(cyclopropylamino)methyl]-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one?
2-[(cyclopropylamino)methyl]-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one has a molecular weight of 271.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 79441693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).