(2S,4S)-4-amino-1-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-N-propan-2-ylpyrrolidine-2-carboxamide

C17H27N5O3 — CID 56702502

IUPAC(2S,4S)-4-amino-1-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)Cc1cc(C(=O)N2C[C@@H](N)C[C@H]2C(=O)NC(C)C)nc(=O)[nH]1
InChIInChI=1S/C17H27N5O3/c1-9(2)5-12-7-13(21-17(25)20-12)16(24)22-8-11(18)6-14(22)15(23)19-10(3)4/h7,9-11,14H,5-6,8,18H2,1-4H3,(H,19,23)(H,20,21,25)/t11-,14-/m0/s1
InChIKeyYROGPGDEQWYCHO-FZMZJTMJSA-N
MW349.44 g/mol
LogP0.03
Rot. Bonds5

About (2S,4S)-4-amino-1-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-N-propan-2-ylpyrrolidine-2-carboxamide

(2S,4S)-4-amino-1-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 56702502) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is (2S,4S)-4-amino-1-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-N-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-1-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID56702502
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Name(2S,4S)-4-amino-1-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)Cc1cc(C(=O)N2C[C@@H](N)C[C@H]2C(=O)NC(C)C)nc(=O)[nH]1
InChIInChI=1S/C17H27N5O3/c1-9(2)5-12-7-13(21-17(25)20-12)16(24)22-8-11(18)6-14(22)15(23)19-10(3)4/h7,9-11,14H,5-6,8,18H2,1-4H3,(H,19,23)(H,20,21,25)/t11-,14-/m0/s1
InChIKeyYROGPGDEQWYCHO-FZMZJTMJSA-N
XLogP0.03
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S,4S)-4-amino-1-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-N-propan-2-ylpyrrolidine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

6-(2-methylpropyl)-2-oxo-N-[(3S)-2-oxopyrrolidin-3-yl]-1H-pyrimidine-4-carboxamide
CID 100055639
(2R)-2-amino-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-methylpentanamide
CID 56871875
N-[2-(4,6-dimethyl-2-oxo-1(2H)-pyrimidinyl)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56882354
N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-isobutyl-2-oxo-1,2-dihydropyrimidine-4-carboxamide
CID 56901883
(3S)-1-tert-butyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 28077633
(3R)-1-tert-butyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 28077635
1-tert-butyl-N-[2-(4,6-dimethyl-2-oxo-1(2H)-pyrimidinyl)ethyl]-5-oxo-3-pyrrolidinecarboxamide
CID 45208527
1-(2-{[3-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)propanoyl]amino}ethyl)piperidine-3-carboxamide
CID 46993557
1-(2-amino-2-oxoethyl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]piperidine-3-carboxamide
CID 46995964
N-[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]-1-isopropylpiperidine-4-carboxamide
CID 50956693
N-[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]-1-isobutyl-5-oxopyrrolidine-3-carboxamide
CID 50978045
(3S)-1-[2-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoylamino]ethyl]piperidine-3-carboxamide
CID 52393213

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-1-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-1-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-N-propan-2-ylpyrrolidine-2-carboxamide (CID 56702502) is (2S,4S)-4-amino-1-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-1-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-1-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-N-propan-2-ylpyrrolidine-2-carboxamide is CC(C)Cc1cc(C(=O)N2C[C@@H](N)C[C@H]2C(=O)NC(C)C)nc(=O)[nH]1.
What is the InChIKey of (2S,4S)-4-amino-1-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is YROGPGDEQWYCHO-FZMZJTMJSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-9(2)5-12-7-13(21-17(25)20-12)16(24)22-8-11(18)6-14(22)15(23)19-10(3)4/h7,9-11,14H,5-6,8,18H2,1-4H3,(H,19,23)(H,20,21,25)/t11-,14-/m0/s1.
What are the key properties of (2S,4S)-4-amino-1-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
(2S,4S)-4-amino-1-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-1-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-N-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56702502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).