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

C13H21ClN4O2 — CID 154888037

IUPACN-[(1R,3R)-3-aminocyclopentyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide;hydrochloride
SMILESCC(C)c1ncc(C(=O)N[C@@H]2CC[C@@H](N)C2)c(=O)[nH]1.Cl
InChIInChI=1S/C13H20N4O2.ClH/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);1H/t8-,9-;/m1./s1
InChIKeyWKJYWHMYQQKXGY-VTLYIQCISA-N
MW300.79 g/mol
LogP0.92
Rot. Bonds3

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

N-[(1R,3R)-3-aminocyclopentyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide;hydrochloride (PubChem CID 154888037) has the molecular formula C13H21ClN4O2 and a molecular weight of 300.79 g/mol. Its IUPAC name is N-[(1R,3R)-3-aminocyclopentyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(1R,3R)-3-aminocyclopentyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide;hydrochloride
PubChem CID154888037
Molecular FormulaC13H21ClN4O2
Molecular Weight300.79 g/mol
Exact Mass300.14
IUPAC NameN-[(1R,3R)-3-aminocyclopentyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide;hydrochloride
SMILESCC(C)c1ncc(C(=O)N[C@@H]2CC[C@@H](N)C2)c(=O)[nH]1.Cl
InChIInChI=1S/C13H20N4O2.ClH/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);1H/t8-,9-;/m1./s1
InChIKeyWKJYWHMYQQKXGY-VTLYIQCISA-N
XLogP0.92
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-aminocyclopentyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide;hydrochloride?
The IUPAC name of N-[(1R,3R)-3-aminocyclopentyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide;hydrochloride (CID 154888037) is N-[(1R,3R)-3-aminocyclopentyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide;hydrochloride.
What is the SMILES notation for N-[(1R,3R)-3-aminocyclopentyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide;hydrochloride?
The canonical SMILES for N-[(1R,3R)-3-aminocyclopentyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide;hydrochloride is CC(C)c1ncc(C(=O)N[C@@H]2CC[C@@H](N)C2)c(=O)[nH]1.Cl.
What is the InChIKey of N-[(1R,3R)-3-aminocyclopentyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide;hydrochloride?
The InChIKey is WKJYWHMYQQKXGY-VTLYIQCISA-N. The full InChI is InChI=1S/C13H20N4O2.ClH/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);1H/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;hydrochloride?
N-[(1R,3R)-3-aminocyclopentyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide;hydrochloride has a molecular weight of 300.79 g/mol, XLogP of 0.92, 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;hydrochloride is sourced from PubChem (CID 154888037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).