5-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one

C15H24N4O2 — CID 72879237

IUPAC5-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2C[C@@H](N(C)C)[C@H](C(C)C)C2)c(=O)[nH]1
InChIInChI=1S/C15H24N4O2/c1-9(2)12-7-19(8-13(12)18(4)5)15(21)11-6-16-10(3)17-14(11)20/h6,9,12-13H,7-8H2,1-5H3,(H,16,17,20)/t12-,13+/m0/s1
InChIKeyYKOLSVHPKIZLNF-QWHCGFSZSA-N
MW292.38 g/mol
LogP0.74
Rot. Bonds3

About 5-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one

5-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 72879237) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
PubChem CID72879237
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name5-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2C[C@@H](N(C)C)[C@H](C(C)C)C2)c(=O)[nH]1
InChIInChI=1S/C15H24N4O2/c1-9(2)12-7-19(8-13(12)18(4)5)15(21)11-6-16-10(3)17-14(11)20/h6,9,12-13H,7-8H2,1-5H3,(H,16,17,20)/t12-,13+/m0/s1
InChIKeyYKOLSVHPKIZLNF-QWHCGFSZSA-N
XLogP0.74
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

N-[(1-isobutylpyrrolidin-3-yl)methyl]-2-isopropyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 56710372
(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
N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 56884213
5-({4-[1-(dimethylamino)ethyl]-1-piperidinyl}carbonyl)-2-methyl-4(3H)-pyrimidinone
CID 70752567
2-cyclopropyl-5-[(3aS,6aS)-hexahydropyrrolo[3,4-b]pyrrol-1(2H)-ylcarbonyl]pyrimidin-4(3H)-one
CID 70785517
5-{2-[(3R*,4S*)-3-(dimethylamino)-4-isopropyl-1-pyrrolidinyl]-2-oxoethyl}-2-methyl-4(3H)-pyrimidinone
CID 72851740
N-[rel-(3R,4S)-1-(2-methoxyethyl)-4-propyl-3-pyrrolidinyl]-6-oxo-1,6-dihydro-5-pyrimidinecarboxamide hydrochloride
CID 72851751
5-{[(3R*,4S*)-3-amino-4-cyclopropyl-1-pyrrolidinyl]carbonyl}-2-cyclopropyl-4(3H)-pyrimidinone
CID 72863330
N-[rel-(3R,4S)-1-(3-methoxypropyl)-4-propyl-3-pyrrolidinyl]-6-oxo-1,6-dihydro-5-pyrimidinecarboxamide hydrochloride
CID 72864856
N-[(3R,4S)-1-(cyclobutylmethyl)-4-cyclopropylpyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 72865959
N-{(3R*,4S*)-4-isopropyl-1-[(3E)-4-methyl-3-hexen-1-yl]-3-pyrrolidinyl}-6-oxo-1,6-dihydro-5-pyrimidinecarboxamide
CID 72876645

Frequently Asked Questions

What is the IUPAC name of 5-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one (CID 72879237) is 5-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one is Cc1ncc(C(=O)N2C[C@@H](N(C)C)[C@H](C(C)C)C2)c(=O)[nH]1.
What is the InChIKey of 5-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is YKOLSVHPKIZLNF-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-9(2)12-7-19(8-13(12)18(4)5)15(21)11-6-16-10(3)17-14(11)20/h6,9,12-13H,7-8H2,1-5H3,(H,16,17,20)/t12-,13+/m0/s1.
What are the key properties of 5-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one?
5-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 292.38 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 72879237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).