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

C13H20N4O2 — CID 133111908

IUPACN-[(1S,3S)-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-/m0/s1
InChIKeyXVNQUXCNCXQFCW-IUCAKERBSA-N
MW264.33 g/mol
LogP0.50
Rot. Bonds3

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

N-[(1S,3S)-3-aminocyclopentyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide (PubChem CID 133111908) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[(1S,3S)-3-aminocyclopentyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-aminocyclopentyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
PubChem CID133111908
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-[(1S,3S)-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-/m0/s1
InChIKeyXVNQUXCNCXQFCW-IUCAKERBSA-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

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-aminocyclopentyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[(1S,3S)-3-aminocyclopentyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide (CID 133111908) is N-[(1S,3S)-3-aminocyclopentyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(1S,3S)-3-aminocyclopentyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(1S,3S)-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-[(1S,3S)-3-aminocyclopentyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
The InChIKey is XVNQUXCNCXQFCW-IUCAKERBSA-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-/m0/s1.
What are the key properties of N-[(1S,3S)-3-aminocyclopentyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
N-[(1S,3S)-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-[(1S,3S)-3-aminocyclopentyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 133111908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).