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

C14H15N5O3 — CID 122301648

IUPAC2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-methoxypyrimidin-5-yl)acetamide
SMILESCOc1ncc(NC(=O)Cn2cnc(C3CC3)cc2=O)cn1
InChIInChI=1S/C14H15N5O3/c1-22-14-15-5-10(6-16-14)18-12(20)7-19-8-17-11(4-13(19)21)9-2-3-9/h4-6,8-9H,2-3,7H2,1H3,(H,18,20)
InChIKeyYOXYANCAYNGUSS-UHFFFAOYSA-N
MW301.31 g/mol
LogP0.56
Rot. Bonds5

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

2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-methoxypyrimidin-5-yl)acetamide (PubChem CID 122301648) has the molecular formula C14H15N5O3 and a molecular weight of 301.31 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-methoxypyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-methoxypyrimidin-5-yl)acetamide
PubChem CID122301648
Molecular FormulaC14H15N5O3
Molecular Weight301.31 g/mol
Exact Mass301.12
IUPAC Name2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-methoxypyrimidin-5-yl)acetamide
SMILESCOc1ncc(NC(=O)Cn2cnc(C3CC3)cc2=O)cn1
InChIInChI=1S/C14H15N5O3/c1-22-14-15-5-10(6-16-14)18-12(20)7-19-8-17-11(4-13(19)21)9-2-3-9/h4-6,8-9H,2-3,7H2,1H3,(H,18,20)
InChIKeyYOXYANCAYNGUSS-UHFFFAOYSA-N
XLogP0.56
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2,4-dimethoxypyrimidin-5-yl)acetamide
CID 122304167
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
CID 122298321
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 122296485
2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxypyrimidin-5-yl)acetamide
CID 122301544
1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methylphenyl)urea
CID 121120160
N-(2,4-dimethoxypyrimidin-5-yl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 122304166
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]acetamide
CID 122355188
1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methoxyphenyl)urea
CID 121120574
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
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 122278381
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-methoxypyrimidin-5-yl)acetamide?
The IUPAC name of 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-methoxypyrimidin-5-yl)acetamide (CID 122301648) is 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-methoxypyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-methoxypyrimidin-5-yl)acetamide?
The canonical SMILES for 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-methoxypyrimidin-5-yl)acetamide is COc1ncc(NC(=O)Cn2cnc(C3CC3)cc2=O)cn1.
What is the InChIKey of 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-methoxypyrimidin-5-yl)acetamide?
The InChIKey is YOXYANCAYNGUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3/c1-22-14-15-5-10(6-16-14)18-12(20)7-19-8-17-11(4-13(19)21)9-2-3-9/h4-6,8-9H,2-3,7H2,1H3,(H,18,20).
What are the key properties of 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-methoxypyrimidin-5-yl)acetamide?
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-methoxypyrimidin-5-yl)acetamide has a molecular weight of 301.31 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-methoxypyrimidin-5-yl)acetamide is sourced from PubChem (CID 122301648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).