2-[[(2-chlorophenyl)-(2-methyl-4-pyridinyl)methyl]-methylamino]-5-hydroxy-3-methyl-6-[2-(1,2-oxazol-4-yl)acetyl]pyrimidin-4-one

C24H22ClN5O4 — CID 167691610

IUPAC2-[[(2-chlorophenyl)-(2-methyl-4-pyridinyl)methyl]-methylamino]-5-hydroxy-3-methyl-6-[2-(1,2-oxazol-4-yl)acetyl]pyrimidin-4-one
SMILESCc1cc(C(c2ccccc2Cl)N(C)c2nc(C(=O)Cc3cnoc3)c(O)c(=O)n2C)ccn1
InChIInChI=1S/C24H22ClN5O4/c1-14-10-16(8-9-26-14)21(17-6-4-5-7-18(17)25)29(2)24-28-20(22(32)23(33)30(24)3)19(31)11-15-12-27-34-13-15/h4-10,12-13,21,32H,11H2,1-3H3
InChIKeyXAKMDLLIUYIPQS-UHFFFAOYSA-N
MW479.92 g/mol
LogP3.48
Rot. Bonds7

About 2-[[(2-chlorophenyl)-(2-methyl-4-pyridinyl)methyl]-methylamino]-5-hydroxy-3-methyl-6-[2-(1,2-oxazol-4-yl)acetyl]pyrimidin-4-one

2-[[(2-chlorophenyl)-(2-methyl-4-pyridinyl)methyl]-methylamino]-5-hydroxy-3-methyl-6-[2-(1,2-oxazol-4-yl)acetyl]pyrimidin-4-one (PubChem CID 167691610) has the molecular formula C24H22ClN5O4 and a molecular weight of 479.92 g/mol. Its IUPAC name is 2-[[(2-chlorophenyl)-(2-methyl-4-pyridinyl)methyl]-methylamino]-5-hydroxy-3-methyl-6-[2-(1,2-oxazol-4-yl)acetyl]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(2-chlorophenyl)-(2-methyl-4-pyridinyl)methyl]-methylamino]-5-hydroxy-3-methyl-6-[2-(1,2-oxazol-4-yl)acetyl]pyrimidin-4-one
PubChem CID167691610
Molecular FormulaC24H22ClN5O4
Molecular Weight479.92 g/mol
Exact Mass479.14
IUPAC Name2-[[(2-chlorophenyl)-(2-methyl-4-pyridinyl)methyl]-methylamino]-5-hydroxy-3-methyl-6-[2-(1,2-oxazol-4-yl)acetyl]pyrimidin-4-one
SMILESCc1cc(C(c2ccccc2Cl)N(C)c2nc(C(=O)Cc3cnoc3)c(O)c(=O)n2C)ccn1
InChIInChI=1S/C24H22ClN5O4/c1-14-10-16(8-9-26-14)21(17-6-4-5-7-18(17)25)29(2)24-28-20(22(32)23(33)30(24)3)19(31)11-15-12-27-34-13-15/h4-10,12-13,21,32H,11H2,1-3H3
InChIKeyXAKMDLLIUYIPQS-UHFFFAOYSA-N
XLogP3.48
TPSA114.35 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.92
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2-chlorophenyl)-(2-methyl-4-pyridinyl)methyl]-methylamino]-5-hydroxy-3-methyl-6-[2-(1,2-oxazol-4-yl)acetyl]pyrimidin-4-one?
The IUPAC name of 2-[[(2-chlorophenyl)-(2-methyl-4-pyridinyl)methyl]-methylamino]-5-hydroxy-3-methyl-6-[2-(1,2-oxazol-4-yl)acetyl]pyrimidin-4-one (CID 167691610) is 2-[[(2-chlorophenyl)-(2-methyl-4-pyridinyl)methyl]-methylamino]-5-hydroxy-3-methyl-6-[2-(1,2-oxazol-4-yl)acetyl]pyrimidin-4-one.
What is the SMILES notation for 2-[[(2-chlorophenyl)-(2-methyl-4-pyridinyl)methyl]-methylamino]-5-hydroxy-3-methyl-6-[2-(1,2-oxazol-4-yl)acetyl]pyrimidin-4-one?
The canonical SMILES for 2-[[(2-chlorophenyl)-(2-methyl-4-pyridinyl)methyl]-methylamino]-5-hydroxy-3-methyl-6-[2-(1,2-oxazol-4-yl)acetyl]pyrimidin-4-one is Cc1cc(C(c2ccccc2Cl)N(C)c2nc(C(=O)Cc3cnoc3)c(O)c(=O)n2C)ccn1.
What is the InChIKey of 2-[[(2-chlorophenyl)-(2-methyl-4-pyridinyl)methyl]-methylamino]-5-hydroxy-3-methyl-6-[2-(1,2-oxazol-4-yl)acetyl]pyrimidin-4-one?
The InChIKey is XAKMDLLIUYIPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O4/c1-14-10-16(8-9-26-14)21(17-6-4-5-7-18(17)25)29(2)24-28-20(22(32)23(33)30(24)3)19(31)11-15-12-27-34-13-15/h4-10,12-13,21,32H,11H2,1-3H3.
What are the key properties of 2-[[(2-chlorophenyl)-(2-methyl-4-pyridinyl)methyl]-methylamino]-5-hydroxy-3-methyl-6-[2-(1,2-oxazol-4-yl)acetyl]pyrimidin-4-one?
2-[[(2-chlorophenyl)-(2-methyl-4-pyridinyl)methyl]-methylamino]-5-hydroxy-3-methyl-6-[2-(1,2-oxazol-4-yl)acetyl]pyrimidin-4-one has a molecular weight of 479.92 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-chlorophenyl)-(2-methyl-4-pyridinyl)methyl]-methylamino]-5-hydroxy-3-methyl-6-[2-(1,2-oxazol-4-yl)acetyl]pyrimidin-4-one is sourced from PubChem (CID 167691610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).