N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide

C14H20N4O3 — CID 74242020

IUPACN-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCC[C@H](C)[C@H](NC(=O)c1cnc(C2CC2)[nH]c1=O)C(N)=O
InChIInChI=1S/C14H20N4O3/c1-3-7(2)10(11(15)19)17-13(20)9-6-16-12(8-4-5-8)18-14(9)21/h6-8,10H,3-5H2,1-2H3,(H2,15,19)(H,17,20)(H,16,18,21)/t7-,10-/m0/s1
InChIKeyIRBFEMRNQHOCPT-XVKPBYJWSA-N
MW292.34 g/mol
LogP0.28
Rot. Bonds6

About N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide

N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 74242020) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID74242020
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC NameN-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCC[C@H](C)[C@H](NC(=O)c1cnc(C2CC2)[nH]c1=O)C(N)=O
InChIInChI=1S/C14H20N4O3/c1-3-7(2)10(11(15)19)17-13(20)9-6-16-12(8-4-5-8)18-14(9)21/h6-8,10H,3-5H2,1-2H3,(H2,15,19)(H,17,20)(H,16,18,21)/t7-,10-/m0/s1
InChIKeyIRBFEMRNQHOCPT-XVKPBYJWSA-N
XLogP0.28
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide with MolForge

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Related Compounds

(4R)-4-amino-N,N-diethyl-1-[(2-isopropyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]-L-prolinamide
CID 56713154
(4S)-4-amino-N,N-diethyl-1-[(2-isopropyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]-L-prolinamide
CID 56721658
2-cyclopropyl-5-({4-[1-(dimethylamino)ethyl]-1-piperidinyl}carbonyl)-4(3H)-pyrimidinone
CID 70777499
2-cyclopropyl-N-[2-(diisopropylamino)ethyl]-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74248400
2-cyclopropyl-N-{1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl}-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74248649
N~1~-[2-(4-amino-6-hydroxypyrimidin-2-yl)ethyl]-N~2~-methyl-L-alloisoleucinamide
CID 136665307
2-cyclopropyl-N-[2-[3-cyclopropylpropanoyl(methyl)amino]ethyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 154784729
(2S,3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-methyl-2-(methylamino)pentanamide;dihydrochloride
CID 154902595
4-methyl-N-(4-methyl-2-oxopiperidin-3-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 155951059
2-cyclopropyl-N-[(2S)-1-(methylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 166321729

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 74242020) is N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide is CC[C@H](C)[C@H](NC(=O)c1cnc(C2CC2)[nH]c1=O)C(N)=O.
What is the InChIKey of N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is IRBFEMRNQHOCPT-XVKPBYJWSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-3-7(2)10(11(15)19)17-13(20)9-6-16-12(8-4-5-8)18-14(9)21/h6-8,10H,3-5H2,1-2H3,(H2,15,19)(H,17,20)(H,16,18,21)/t7-,10-/m0/s1.
What are the key properties of N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide?
N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 74242020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).