2-[(6-chloro-2-methylpyrimidin-4-yl)-methylamino]-N-(3,5-dimethoxyphenyl)acetamide

C16H19ClN4O3 — CID 133337581

IUPAC2-[(6-chloro-2-methylpyrimidin-4-yl)-methylamino]-N-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CN(C)c2cc(Cl)nc(C)n2)cc(OC)c1
InChIInChI=1S/C16H19ClN4O3/c1-10-18-14(17)8-15(19-10)21(2)9-16(22)20-11-5-12(23-3)7-13(6-11)24-4/h5-8H,9H2,1-4H3,(H,20,22)
InChIKeyKEYUFLBEQFDFFA-UHFFFAOYSA-N
MW350.81 g/mol
LogP2.53
Rot. Bonds6

About 2-[(6-chloro-2-methylpyrimidin-4-yl)-methylamino]-N-(3,5-dimethoxyphenyl)acetamide

2-[(6-chloro-2-methylpyrimidin-4-yl)-methylamino]-N-(3,5-dimethoxyphenyl)acetamide (PubChem CID 133337581) has the molecular formula C16H19ClN4O3 and a molecular weight of 350.81 g/mol. Its IUPAC name is 2-[(6-chloro-2-methylpyrimidin-4-yl)-methylamino]-N-(3,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-chloro-2-methylpyrimidin-4-yl)-methylamino]-N-(3,5-dimethoxyphenyl)acetamide
PubChem CID133337581
Molecular FormulaC16H19ClN4O3
Molecular Weight350.81 g/mol
Exact Mass350.11
IUPAC Name2-[(6-chloro-2-methylpyrimidin-4-yl)-methylamino]-N-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CN(C)c2cc(Cl)nc(C)n2)cc(OC)c1
InChIInChI=1S/C16H19ClN4O3/c1-10-18-14(17)8-15(19-10)21(2)9-16(22)20-11-5-12(23-3)7-13(6-11)24-4/h5-8H,9H2,1-4H3,(H,20,22)
InChIKeyKEYUFLBEQFDFFA-UHFFFAOYSA-N
XLogP2.53
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide
CID 133485659
2-[(3,5-dichlorophenyl)methyl-methylamino]-N-(3,5-dimethoxyphenyl)acetamide
CID 60514415
N-(3,5-dimethoxyphenyl)-2-[ethylsulfonyl(methyl)amino]acetamide
CID 71924471
N-(3,5-dimethoxyphenyl)-2-[(6-methoxyquinolin-4-yl)-methylamino]acetamide
CID 166382736
2-(3,4-dichlorophenoxy)-N-(3,5-dimethoxyphenyl)acetamide
CID 2706581
N-(3,5-dimethoxyphenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide
CID 46594714
2-(3,4-dichloroanilino)-N-(3,5-dimethoxyphenyl)acetamide
CID 4796501
2-[cycloheptyl(methyl)amino]-N-(3,5-dimethoxyphenyl)acetamide
CID 16577758
2-(N-acetyl-4-methoxyanilino)-N-(3,5-dichlorophenyl)acetamide
CID 113173660
N-(3,5-dimethoxyphenyl)-2-sulfanylacetamide
CID 2971820
4-[[2-(3,5-dimethoxyanilino)-2-oxoethyl]-methylamino]butanoic acid
CID 119994299
2-[(6-methoxy-2-methylpyrimidin-4-yl)-methylamino]acetic acid
CID 66332249

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-methylpyrimidin-4-yl)-methylamino]-N-(3,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[(6-chloro-2-methylpyrimidin-4-yl)-methylamino]-N-(3,5-dimethoxyphenyl)acetamide (CID 133337581) is 2-[(6-chloro-2-methylpyrimidin-4-yl)-methylamino]-N-(3,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(6-chloro-2-methylpyrimidin-4-yl)-methylamino]-N-(3,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[(6-chloro-2-methylpyrimidin-4-yl)-methylamino]-N-(3,5-dimethoxyphenyl)acetamide is COc1cc(NC(=O)CN(C)c2cc(Cl)nc(C)n2)cc(OC)c1.
What is the InChIKey of 2-[(6-chloro-2-methylpyrimidin-4-yl)-methylamino]-N-(3,5-dimethoxyphenyl)acetamide?
The InChIKey is KEYUFLBEQFDFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O3/c1-10-18-14(17)8-15(19-10)21(2)9-16(22)20-11-5-12(23-3)7-13(6-11)24-4/h5-8H,9H2,1-4H3,(H,20,22).
What are the key properties of 2-[(6-chloro-2-methylpyrimidin-4-yl)-methylamino]-N-(3,5-dimethoxyphenyl)acetamide?
2-[(6-chloro-2-methylpyrimidin-4-yl)-methylamino]-N-(3,5-dimethoxyphenyl)acetamide has a molecular weight of 350.81 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-methylpyrimidin-4-yl)-methylamino]-N-(3,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 133337581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).