2-amino-3-methyl-6-[2-(3-pyridin-3-ylphenyl)ethyl]pyrimidin-4-one

C18H18N4O — CID 11587584

IUPAC2-amino-3-methyl-6-[2-(3-pyridin-3-ylphenyl)ethyl]pyrimidin-4-one
SMILESCn1c(N)nc(CCc2cccc(-c3cccnc3)c2)cc1=O
InChIInChI=1S/C18H18N4O/c1-22-17(23)11-16(21-18(22)19)8-7-13-4-2-5-14(10-13)15-6-3-9-20-12-15/h2-6,9-12H,7-8H2,1H3,(H2,19,21)
InChIKeyJKPVKTCZXDPUPX-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.21
Rot. Bonds4

About 2-amino-3-methyl-6-[2-(3-pyridin-3-ylphenyl)ethyl]pyrimidin-4-one

2-amino-3-methyl-6-[2-(3-pyridin-3-ylphenyl)ethyl]pyrimidin-4-one (PubChem CID 11587584) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-amino-3-methyl-6-[2-(3-pyridin-3-ylphenyl)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3-methyl-6-[2-(3-pyridin-3-ylphenyl)ethyl]pyrimidin-4-one
PubChem CID11587584
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name2-amino-3-methyl-6-[2-(3-pyridin-3-ylphenyl)ethyl]pyrimidin-4-one
SMILESCn1c(N)nc(CCc2cccc(-c3cccnc3)c2)cc1=O
InChIInChI=1S/C18H18N4O/c1-22-17(23)11-16(21-18(22)19)8-7-13-4-2-5-14(10-13)15-6-3-9-20-12-15/h2-6,9-12H,7-8H2,1H3,(H2,19,21)
InChIKeyJKPVKTCZXDPUPX-UHFFFAOYSA-N
XLogP2.21
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-6-[2-(3-pyridin-3-ylphenyl)ethyl]pyrimidin-4-one?
The IUPAC name of 2-amino-3-methyl-6-[2-(3-pyridin-3-ylphenyl)ethyl]pyrimidin-4-one (CID 11587584) is 2-amino-3-methyl-6-[2-(3-pyridin-3-ylphenyl)ethyl]pyrimidin-4-one.
What is the SMILES notation for 2-amino-3-methyl-6-[2-(3-pyridin-3-ylphenyl)ethyl]pyrimidin-4-one?
The canonical SMILES for 2-amino-3-methyl-6-[2-(3-pyridin-3-ylphenyl)ethyl]pyrimidin-4-one is Cn1c(N)nc(CCc2cccc(-c3cccnc3)c2)cc1=O.
What is the InChIKey of 2-amino-3-methyl-6-[2-(3-pyridin-3-ylphenyl)ethyl]pyrimidin-4-one?
The InChIKey is JKPVKTCZXDPUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-22-17(23)11-16(21-18(22)19)8-7-13-4-2-5-14(10-13)15-6-3-9-20-12-15/h2-6,9-12H,7-8H2,1H3,(H2,19,21).
What are the key properties of 2-amino-3-methyl-6-[2-(3-pyridin-3-ylphenyl)ethyl]pyrimidin-4-one?
2-amino-3-methyl-6-[2-(3-pyridin-3-ylphenyl)ethyl]pyrimidin-4-one has a molecular weight of 306.37 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-6-[2-(3-pyridin-3-ylphenyl)ethyl]pyrimidin-4-one is sourced from PubChem (CID 11587584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).