2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2,4-dimethoxypyrimidin-5-yl)acetamide

C15H17N5O4 — CID 122304167

IUPAC2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2,4-dimethoxypyrimidin-5-yl)acetamide
SMILESCOc1ncc(NC(=O)Cn2cnc(C3CC3)cc2=O)c(OC)n1
InChIInChI=1S/C15H17N5O4/c1-23-14-11(6-16-15(19-14)24-2)18-12(21)7-20-8-17-10(5-13(20)22)9-3-4-9/h5-6,8-9H,3-4,7H2,1-2H3,(H,18,21)
InChIKeyQZGYIHHRMYFJBG-UHFFFAOYSA-N
MW331.33 g/mol
LogP0.57
Rot. Bonds6

About 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2,4-dimethoxypyrimidin-5-yl)acetamide

2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2,4-dimethoxypyrimidin-5-yl)acetamide (PubChem CID 122304167) has the molecular formula C15H17N5O4 and a molecular weight of 331.33 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2,4-dimethoxypyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2,4-dimethoxypyrimidin-5-yl)acetamide
PubChem CID122304167
Molecular FormulaC15H17N5O4
Molecular Weight331.33 g/mol
Exact Mass331.13
IUPAC Name2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2,4-dimethoxypyrimidin-5-yl)acetamide
SMILESCOc1ncc(NC(=O)Cn2cnc(C3CC3)cc2=O)c(OC)n1
InChIInChI=1S/C15H17N5O4/c1-23-14-11(6-16-15(19-14)24-2)18-12(21)7-20-8-17-10(5-13(20)22)9-3-4-9/h5-6,8-9H,3-4,7H2,1-2H3,(H,18,21)
InChIKeyQZGYIHHRMYFJBG-UHFFFAOYSA-N
XLogP0.57
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-methoxypyrimidin-5-yl)acetamide
CID 122301648
N-(2,4-dimethoxypyrimidin-5-yl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 122304166
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
CID 122298321
N-(4-cyclopropyl-2-methoxypyrimidin-5-yl)propanamide
CID 170387996
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 122296485
1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-(2,5-dimethoxyphenyl)urea
CID 121120208
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-indol-1-ylacetamide
CID 121120020
N-(2,4-dimethoxypyrimidin-5-yl)-1-methyl-3-phenylpyrazole-5-carboxamide
CID 122304031
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-(2-imidazol-1-ylethoxy)ethyl]acetamide
CID 122246808
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide
CID 122293721
1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methoxyphenyl)urea
CID 121120574
6-cyclopropyl-3-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one
CID 139028946

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2,4-dimethoxypyrimidin-5-yl)acetamide?
The IUPAC name of 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2,4-dimethoxypyrimidin-5-yl)acetamide (CID 122304167) is 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2,4-dimethoxypyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2,4-dimethoxypyrimidin-5-yl)acetamide?
The canonical SMILES for 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2,4-dimethoxypyrimidin-5-yl)acetamide is COc1ncc(NC(=O)Cn2cnc(C3CC3)cc2=O)c(OC)n1.
What is the InChIKey of 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2,4-dimethoxypyrimidin-5-yl)acetamide?
The InChIKey is QZGYIHHRMYFJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O4/c1-23-14-11(6-16-15(19-14)24-2)18-12(21)7-20-8-17-10(5-13(20)22)9-3-4-9/h5-6,8-9H,3-4,7H2,1-2H3,(H,18,21).
What are the key properties of 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2,4-dimethoxypyrimidin-5-yl)acetamide?
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2,4-dimethoxypyrimidin-5-yl)acetamide has a molecular weight of 331.33 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2,4-dimethoxypyrimidin-5-yl)acetamide is sourced from PubChem (CID 122304167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).