4-[(2S)-2-tert-butylpyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one

C16H23N3O2 — CID 164633584

IUPAC4-[(2S)-2-tert-butylpyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESCC(C)(C)[C@@H]1CCCN1C(=O)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C16H23N3O2/c1-16(2,3)12-5-4-8-19(12)15(21)11-9-13(20)18-14(17-11)10-6-7-10/h9-10,12H,4-8H2,1-3H3,(H,17,18,20)/t12-/m0/s1
InChIKeyOGJMSTPTYWJRFA-LBPRGKRZSA-N
MW289.38 g/mol
LogP2.30
Rot. Bonds2

About 4-[(2S)-2-tert-butylpyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one

4-[(2S)-2-tert-butylpyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 164633584) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-[(2S)-2-tert-butylpyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2S)-2-tert-butylpyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID164633584
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-[(2S)-2-tert-butylpyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESCC(C)(C)[C@@H]1CCCN1C(=O)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C16H23N3O2/c1-16(2,3)12-5-4-8-19(12)15(21)11-9-13(20)18-14(17-11)10-6-7-10/h9-10,12H,4-8H2,1-3H3,(H,17,18,20)/t12-/m0/s1
InChIKeyOGJMSTPTYWJRFA-LBPRGKRZSA-N
XLogP2.30
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-4-(3-fluoro-3-methylpyrrolidine-1-carbonyl)-1H-pyrimidin-6-one
CID 138004853
2-cyclopropyl-4-[(2R)-2-(difluoromethyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one
CID 138005041
2-cyclopropyl-4-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one
CID 138016792
2-cyclopropyl-4-(4-methylazepane-1-carbonyl)-1H-pyrimidin-6-one
CID 136545188
N,N-dibutyl-2-cyclopropyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 136548601
4-(2-cyclobutylpyrrolidine-1-carbonyl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 137978236
2-cyclopropyl-4-[2-(2-methylpropyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one
CID 138004707
2-cyclopropyl-4-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 138004723
4-(2-tert-butylpyrrolidine-1-carbonyl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 138004724
2-cyclopropyl-4-(3-propan-2-yl-2-azaspiro[3.4]octane-2-carbonyl)-1H-pyrimidin-6-one
CID 138005229
2-cyclopropyl-4-(2,4,4-trimethylpyrrolidine-1-carbonyl)-1H-pyrimidin-6-one
CID 138005241
2-cyclopropyl-4-(2-methyl-2,7-diazaspiro[4.5]decane-7-carbonyl)-1H-pyrimidin-6-one
CID 138035800

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-tert-butylpyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2S)-2-tert-butylpyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one (CID 164633584) is 4-[(2S)-2-tert-butylpyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2S)-2-tert-butylpyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2S)-2-tert-butylpyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one is CC(C)(C)[C@@H]1CCCN1C(=O)c1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 4-[(2S)-2-tert-butylpyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is OGJMSTPTYWJRFA-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-16(2,3)12-5-4-8-19(12)15(21)11-9-13(20)18-14(17-11)10-6-7-10/h9-10,12H,4-8H2,1-3H3,(H,17,18,20)/t12-/m0/s1.
What are the key properties of 4-[(2S)-2-tert-butylpyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one?
4-[(2S)-2-tert-butylpyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 289.38 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-tert-butylpyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 164633584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).