2-[(2-hydroxy-2-phenylethyl)amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one

C18H18N4O2 — CID 22595645

IUPAC2-[(2-hydroxy-2-phenylethyl)amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(NCC(O)c2ccccc2)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C18H18N4O2/c1-22-17(24)11-15(13-7-9-19-10-8-13)21-18(22)20-12-16(23)14-5-3-2-4-6-14/h2-11,16,23H,12H2,1H3,(H,20,21)
InChIKeyHLHSBTANQKHKAP-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.99
Rot. Bonds5

About 2-[(2-hydroxy-2-phenylethyl)amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one

2-[(2-hydroxy-2-phenylethyl)amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 22595645) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-phenylethyl)amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-[(2-hydroxy-2-phenylethyl)amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
PubChem CID22595645
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-[(2-hydroxy-2-phenylethyl)amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(NCC(O)c2ccccc2)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C18H18N4O2/c1-22-17(24)11-15(13-7-9-19-10-8-13)21-18(22)20-12-16(23)14-5-3-2-4-6-14/h2-11,16,23H,12H2,1H3,(H,20,21)
InChIKeyHLHSBTANQKHKAP-UHFFFAOYSA-N
XLogP1.99
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 9470
CID 9470
CID 9469
CID 9469
CID 9882994
CID 9882994
CID 10133485
CID 10133485
CID 11176034
CID 11176034
CID 22595656
CID 22595656
CID 22595681
CID 22595681
CID 22595683
CID 22595683
CID 57877765
CID 57877765
CID 59793923
CID 59793923
CID 60001863
CID 60001863
CID 11512281
CID 11512281

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-phenylethyl)amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 2-[(2-hydroxy-2-phenylethyl)amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one (CID 22595645) is 2-[(2-hydroxy-2-phenylethyl)amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2-[(2-hydroxy-2-phenylethyl)amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 2-[(2-hydroxy-2-phenylethyl)amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one is Cn1c(NCC(O)c2ccccc2)nc(-c2ccncc2)cc1=O.
What is the InChIKey of 2-[(2-hydroxy-2-phenylethyl)amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is HLHSBTANQKHKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-22-17(24)11-15(13-7-9-19-10-8-13)21-18(22)20-12-16(23)14-5-3-2-4-6-14/h2-11,16,23H,12H2,1H3,(H,20,21).
What are the key properties of 2-[(2-hydroxy-2-phenylethyl)amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
2-[(2-hydroxy-2-phenylethyl)amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 322.37 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-phenylethyl)amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 22595645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).