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

C17H20N6O2 — CID 122298321

IUPAC2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
SMILESO=C(Cn1cnc(C2CC2)cc1=O)Nc1cnc(N2CCCC2)nc1
InChIInChI=1S/C17H20N6O2/c24-15(10-23-11-20-14(7-16(23)25)12-3-4-12)21-13-8-18-17(19-9-13)22-5-1-2-6-22/h7-9,11-12H,1-6,10H2,(H,21,24)
InChIKeyROYNKCFAOMBKNB-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.15
Rot. Bonds5

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

2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide (PubChem CID 122298321) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
PubChem CID122298321
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
SMILESO=C(Cn1cnc(C2CC2)cc1=O)Nc1cnc(N2CCCC2)nc1
InChIInChI=1S/C17H20N6O2/c24-15(10-23-11-20-14(7-16(23)25)12-3-4-12)21-13-8-18-17(19-9-13)22-5-1-2-6-22/h7-9,11-12H,1-6,10H2,(H,21,24)
InChIKeyROYNKCFAOMBKNB-UHFFFAOYSA-N
XLogP1.15
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-methoxypyrimidin-5-yl)acetamide
CID 122301648
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122321294
6-cyclopropyl-3-[2-oxo-2-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]pyrimidin-4-one
CID 122334466
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]acetamide
CID 122355188
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2,4-dimethoxypyrimidin-5-yl)acetamide
CID 122304167
6-cyclopropyl-3-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 122339848
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 122296485
3-cyclohexyl-N-(2-piperidin-1-ylpyrimidin-5-yl)propanamide
CID 122298424
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)butanamide
CID 71789958
N-[2-(azepan-1-yl)pyrimidin-5-yl]butanamide
CID 53164766
2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122295755
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 122300571

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide?
The IUPAC name of 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide (CID 122298321) is 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide?
The canonical SMILES for 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide is O=C(Cn1cnc(C2CC2)cc1=O)Nc1cnc(N2CCCC2)nc1.
What is the InChIKey of 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide?
The InChIKey is ROYNKCFAOMBKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c24-15(10-23-11-20-14(7-16(23)25)12-3-4-12)21-13-8-18-17(19-9-13)22-5-1-2-6-22/h7-9,11-12H,1-6,10H2,(H,21,24).
What are the key properties of 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide?
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide has a molecular weight of 340.39 g/mol, XLogP of 1.15, 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-pyrrolidin-1-ylpyrimidin-5-yl)acetamide is sourced from PubChem (CID 122298321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).