6-oxo-N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1H-pyrimidine-5-carboxamide

C13H20N4O2 — CID 131897080

IUPAC6-oxo-N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1H-pyrimidine-5-carboxamide
SMILESCC(C)N1CCCC1CNC(=O)c1cnc[nH]c1=O
InChIInChI=1S/C13H20N4O2/c1-9(2)17-5-3-4-10(17)6-15-12(18)11-7-14-8-16-13(11)19/h7-10H,3-6H2,1-2H3,(H,15,18)(H,14,16,19)
InChIKeyOZDIULFJDVXJRP-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.37
Rot. Bonds4

About 6-oxo-N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1H-pyrimidine-5-carboxamide

6-oxo-N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1H-pyrimidine-5-carboxamide (PubChem CID 131897080) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 6-oxo-N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1H-pyrimidine-5-carboxamide
PubChem CID131897080
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name6-oxo-N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1H-pyrimidine-5-carboxamide
SMILESCC(C)N1CCCC1CNC(=O)c1cnc[nH]c1=O
InChIInChI=1S/C13H20N4O2/c1-9(2)17-5-3-4-10(17)6-15-12(18)11-7-14-8-16-13(11)19/h7-10H,3-6H2,1-2H3,(H,15,18)(H,14,16,19)
InChIKeyOZDIULFJDVXJRP-UHFFFAOYSA-N
XLogP0.37
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-((1r,4r)-4-aminocyclohexyl)-4-hydroxypyrimidine-5-carboxamide
CID 132219876
N-(1-(1-(L-alanyl)piperidin-4-yl)ethyl)-4-hydroxypyrimidine-5-carboxamide
CID 132227790
N-((1r,4r)-4-(3-aminopropanamido)cyclohexyl)-4-hydroxypyrimidine-5-carboxamide
CID 132228054
N-cyclopentyl-2-(5-methyl-6-oxopyrimidin-1-yl)acetamide
CID 56764424
N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 146193144
N-[2-(azepan-1-yl)ethyl]-6-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 50976814
(2S)-1-(2-tert-butyl-6-oxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide
CID 70752051
1-cyclopentyl-3-(2-(5-methyl-6-oxopyrimidin-1(6H)-yl)ethyl)urea
CID 72717230
N-[rel-(3R,4S)-1-(2-methoxyethyl)-4-propyl-3-pyrrolidinyl]-6-oxo-1,6-dihydro-5-pyrimidinecarboxamide hydrochloride
CID 72851751
N-[rel-(3R,4S)-1-(3-methoxypropyl)-4-propyl-3-pyrrolidinyl]-6-oxo-1,6-dihydro-5-pyrimidinecarboxamide hydrochloride
CID 72864856
5-{[(3S*,4R*)-3-(dimethylamino)-4-isopropyl-1-pyrrolidinyl]carbonyl}-2-methyl-4(3H)-pyrimidinone
CID 72879237
N'-{(3S*,4R*)-4-isopropyl-1-[(6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-3-pyrrolidinyl}-N,N-dimethylsulfamide
CID 72922486

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1H-pyrimidine-5-carboxamide?
The IUPAC name of 6-oxo-N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1H-pyrimidine-5-carboxamide (CID 131897080) is 6-oxo-N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 6-oxo-N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 6-oxo-N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1H-pyrimidine-5-carboxamide is CC(C)N1CCCC1CNC(=O)c1cnc[nH]c1=O.
What is the InChIKey of 6-oxo-N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1H-pyrimidine-5-carboxamide?
The InChIKey is OZDIULFJDVXJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9(2)17-5-3-4-10(17)6-15-12(18)11-7-14-8-16-13(11)19/h7-10H,3-6H2,1-2H3,(H,15,18)(H,14,16,19).
What are the key properties of 6-oxo-N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1H-pyrimidine-5-carboxamide?
6-oxo-N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1H-pyrimidine-5-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 131897080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).