2-[[(2,6-dichlorophenyl)-pyridin-2-ylmethyl]-methylamino]-5-methoxy-3-methyl-6-[2-(1,2-oxazol-4-yl)acetyl]pyrimidin-4-one

C24H21Cl2N5O4 — CID 167552389

IUPAC2-[[(2,6-dichlorophenyl)-pyridin-2-ylmethyl]-methylamino]-5-methoxy-3-methyl-6-[2-(1,2-oxazol-4-yl)acetyl]pyrimidin-4-one
SMILESCOc1c(C(=O)Cc2cnoc2)nc(N(C)C(c2ccccn2)c2c(Cl)cccc2Cl)n(C)c1=O
InChIInChI=1S/C24H21Cl2N5O4/c1-30(21(17-9-4-5-10-27-17)19-15(25)7-6-8-16(19)26)24-29-20(22(34-3)23(33)31(24)2)18(32)11-14-12-28-35-13-14/h4-10,12-13,21H,11H2,1-3H3
InChIKeyCOOOAVBAHQHPCE-UHFFFAOYSA-N
MW514.37 g/mol
LogP4.13
Rot. Bonds8

About 2-[[(2,6-dichlorophenyl)-pyridin-2-ylmethyl]-methylamino]-5-methoxy-3-methyl-6-[2-(1,2-oxazol-4-yl)acetyl]pyrimidin-4-one

2-[[(2,6-dichlorophenyl)-pyridin-2-ylmethyl]-methylamino]-5-methoxy-3-methyl-6-[2-(1,2-oxazol-4-yl)acetyl]pyrimidin-4-one (PubChem CID 167552389) has the molecular formula C24H21Cl2N5O4 and a molecular weight of 514.37 g/mol. Its IUPAC name is 2-[[(2,6-dichlorophenyl)-pyridin-2-ylmethyl]-methylamino]-5-methoxy-3-methyl-6-[2-(1,2-oxazol-4-yl)acetyl]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(2,6-dichlorophenyl)-pyridin-2-ylmethyl]-methylamino]-5-methoxy-3-methyl-6-[2-(1,2-oxazol-4-yl)acetyl]pyrimidin-4-one
PubChem CID167552389
Molecular FormulaC24H21Cl2N5O4
Molecular Weight514.37 g/mol
Exact Mass513.10
IUPAC Name2-[[(2,6-dichlorophenyl)-pyridin-2-ylmethyl]-methylamino]-5-methoxy-3-methyl-6-[2-(1,2-oxazol-4-yl)acetyl]pyrimidin-4-one
SMILESCOc1c(C(=O)Cc2cnoc2)nc(N(C)C(c2ccccn2)c2c(Cl)cccc2Cl)n(C)c1=O
InChIInChI=1S/C24H21Cl2N5O4/c1-30(21(17-9-4-5-10-27-17)19-15(25)7-6-8-16(19)26)24-29-20(22(34-3)23(33)31(24)2)18(32)11-14-12-28-35-13-14/h4-10,12-13,21H,11H2,1-3H3
InChIKeyCOOOAVBAHQHPCE-UHFFFAOYSA-N
XLogP4.13
TPSA103.35 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.37
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Launch Full Analysis

Related Compounds

2-[[(4-acetyl-2-chlorophenyl)-phenylmethyl]-methylamino]-5-methoxy-3-methyl-6-[2-(1,2-oxazol-4-yl)acetyl]pyrimidin-4-one
CID 167651247
2-[[(2-chlorophenyl)-pyridin-2-ylmethyl]-methylamino]-5-methoxy-1-methyl-6-oxopyrimidine-4-carboxylic acid
CID 155590488
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
5-ethoxy-1-methyl-2-[methyl-[phenyl(pyridin-2-yl)methyl]amino]-6-oxopyrimidine-4-carboxylic acid
CID 170646697
2-[[(2-chlorophenyl)-phenylmethyl]-methylamino]-N-(2-iodophenyl)-5-methoxy-1-methyl-6-oxopyrimidine-4-carboxamide
CID 170646637
ethyl 5-methoxy-1-methyl-2-[methyl-[(1R)-1-phenylethyl]amino]-6-oxopyrimidine-4-carboxylate
CID 165153078
4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-N,1-dimethylpyrazole-3-carboxamide
CID 131933604
6-(1,3-benzoxazol-2-yl)-5-hydroxy-3-methyl-2-[methyl-[phenyl(pyridin-2-yl)methyl]amino]pyrimidin-4-one
CID 170646919
2-[benzhydryl(methyl)amino]-5-methoxy-1-methyl-6-oxopyrimidine-4-carbaldehyde
CID 170646683
ethyl 2-[[(3-chloro-2-pyridinyl)-phenylmethyl]amino]-5-methoxy-1-methyl-6-oxopyrimidine-4-carboxylate
CID 155590492
N-[(4-methoxyphenyl)-pyridin-2-ylmethyl]-N-methyl-1-(1,2-oxazole-5-carbonyl)piperidine-4-carboxamide
CID 126474628
lithium;2-[1-(2-chlorophenyl)-1-phenylpropan-2-yl]-5-methoxy-1-methyl-6-oxopyrimidine-4-carboxylic acid;hydride
CID 175532892

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,6-dichlorophenyl)-pyridin-2-ylmethyl]-methylamino]-5-methoxy-3-methyl-6-[2-(1,2-oxazol-4-yl)acetyl]pyrimidin-4-one?
The IUPAC name of 2-[[(2,6-dichlorophenyl)-pyridin-2-ylmethyl]-methylamino]-5-methoxy-3-methyl-6-[2-(1,2-oxazol-4-yl)acetyl]pyrimidin-4-one (CID 167552389) is 2-[[(2,6-dichlorophenyl)-pyridin-2-ylmethyl]-methylamino]-5-methoxy-3-methyl-6-[2-(1,2-oxazol-4-yl)acetyl]pyrimidin-4-one.
What is the SMILES notation for 2-[[(2,6-dichlorophenyl)-pyridin-2-ylmethyl]-methylamino]-5-methoxy-3-methyl-6-[2-(1,2-oxazol-4-yl)acetyl]pyrimidin-4-one?
The canonical SMILES for 2-[[(2,6-dichlorophenyl)-pyridin-2-ylmethyl]-methylamino]-5-methoxy-3-methyl-6-[2-(1,2-oxazol-4-yl)acetyl]pyrimidin-4-one is COc1c(C(=O)Cc2cnoc2)nc(N(C)C(c2ccccn2)c2c(Cl)cccc2Cl)n(C)c1=O.
What is the InChIKey of 2-[[(2,6-dichlorophenyl)-pyridin-2-ylmethyl]-methylamino]-5-methoxy-3-methyl-6-[2-(1,2-oxazol-4-yl)acetyl]pyrimidin-4-one?
The InChIKey is COOOAVBAHQHPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2N5O4/c1-30(21(17-9-4-5-10-27-17)19-15(25)7-6-8-16(19)26)24-29-20(22(34-3)23(33)31(24)2)18(32)11-14-12-28-35-13-14/h4-10,12-13,21H,11H2,1-3H3.
What are the key properties of 2-[[(2,6-dichlorophenyl)-pyridin-2-ylmethyl]-methylamino]-5-methoxy-3-methyl-6-[2-(1,2-oxazol-4-yl)acetyl]pyrimidin-4-one?
2-[[(2,6-dichlorophenyl)-pyridin-2-ylmethyl]-methylamino]-5-methoxy-3-methyl-6-[2-(1,2-oxazol-4-yl)acetyl]pyrimidin-4-one has a molecular weight of 514.37 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,6-dichlorophenyl)-pyridin-2-ylmethyl]-methylamino]-5-methoxy-3-methyl-6-[2-(1,2-oxazol-4-yl)acetyl]pyrimidin-4-one is sourced from PubChem (CID 167552389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).