N-[(1R,3R)-3-aminocyclopentyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide

C13H20N4O2 — CID 56749058

IUPACN-[(1R,3R)-3-aminocyclopentyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
SMILESCC(C)c1ncc(C(=O)N[C@@H]2CC[C@@H](N)C2)c(=O)[nH]1
InChIInChI=1S/C13H20N4O2/c1-7(2)11-15-6-10(13(19)17-11)12(18)16-9-4-3-8(14)5-9/h6-9H,3-5,14H2,1-2H3,(H,16,18)(H,15,17,19)/t8-,9-/m1/s1
InChIKeyXVNQUXCNCXQFCW-RKDXNWHRSA-N
MW264.33 g/mol
LogP0.50
Rot. Bonds3

About N-[(1R,3R)-3-aminocyclopentyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide

N-[(1R,3R)-3-aminocyclopentyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide (PubChem CID 56749058) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[(1R,3R)-3-aminocyclopentyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,3R)-3-aminocyclopentyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
PubChem CID56749058
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-[(1R,3R)-3-aminocyclopentyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
SMILESCC(C)c1ncc(C(=O)N[C@@H]2CC[C@@H](N)C2)c(=O)[nH]1
InChIInChI=1S/C13H20N4O2/c1-7(2)11-15-6-10(13(19)17-11)12(18)16-9-4-3-8(14)5-9/h6-9H,3-5,14H2,1-2H3,(H,16,18)(H,15,17,19)/t8-,9-/m1/s1
InChIKeyXVNQUXCNCXQFCW-RKDXNWHRSA-N
XLogP0.50
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(1R,3R)-3-aminocyclopentyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide with MolForge

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Related Compounds

2-isopropyl-5-{[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]carbonyl}pyrimidin-4(3H)-one
CID 56872069
3-cyclopentyl-7-methyl-6H-pyrimido[4,5-d]pyrimidine-2,5-dione
CID 163365413
N-[(1-isobutylpyrrolidin-3-yl)methyl]-2-isopropyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 56710372
5-({4-[1-(dimethylamino)ethyl]-1-piperidinyl}carbonyl)-2-methyl-4(3H)-pyrimidinone
CID 70752567
2-cyclopropyl-N-[2-(diisopropylamino)ethyl]-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74248400
5-[(4-aminoazepan-1-yl)carbonyl]-2-methylpyrimidin-4(3H)-one
CID 91766559
N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 95216047
N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 95216048
N-cyclopentyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 95916098
N-cyclopentyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 95916099
5-[4-[(1R)-1-(dimethylamino)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 96398272
5-[4-[(1S)-1-(dimethylamino)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 96398273

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-aminocyclopentyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[(1R,3R)-3-aminocyclopentyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide (CID 56749058) is N-[(1R,3R)-3-aminocyclopentyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(1R,3R)-3-aminocyclopentyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(1R,3R)-3-aminocyclopentyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide is CC(C)c1ncc(C(=O)N[C@@H]2CC[C@@H](N)C2)c(=O)[nH]1.
What is the InChIKey of N-[(1R,3R)-3-aminocyclopentyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
The InChIKey is XVNQUXCNCXQFCW-RKDXNWHRSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-7(2)11-15-6-10(13(19)17-11)12(18)16-9-4-3-8(14)5-9/h6-9H,3-5,14H2,1-2H3,(H,16,18)(H,15,17,19)/t8-,9-/m1/s1.
What are the key properties of N-[(1R,3R)-3-aminocyclopentyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
N-[(1R,3R)-3-aminocyclopentyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-aminocyclopentyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 56749058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).