5-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one

C15H20N4O2 — CID 133130457

IUPAC5-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESN[C@@H]1CN(C(=O)c2cnc(C3CC3)[nH]c2=O)C[C@H]1C1CC1
InChIInChI=1S/C15H20N4O2/c16-12-7-19(6-11(12)8-1-2-8)15(21)10-5-17-13(9-3-4-9)18-14(10)20/h5,8-9,11-12H,1-4,6-7,16H2,(H,17,18,20)/t11-,12+/m0/s1
InChIKeyYTCXKLTUMPFSPB-NWDGAFQWSA-N
MW288.35 g/mol
LogP0.46
Rot. Bonds3

About 5-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one

5-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 133130457) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID133130457
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name5-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESN[C@@H]1CN(C(=O)c2cnc(C3CC3)[nH]c2=O)C[C@H]1C1CC1
InChIInChI=1S/C15H20N4O2/c16-12-7-19(6-11(12)8-1-2-8)15(21)10-5-17-13(9-3-4-9)18-14(10)20/h5,8-9,11-12H,1-4,6-7,16H2,(H,17,18,20)/t11-,12+/m0/s1
InChIKeyYTCXKLTUMPFSPB-NWDGAFQWSA-N
XLogP0.46
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-5-[(3aS,6aS)-hexahydropyrrolo[3,4-b]pyrrol-1(2H)-ylcarbonyl]pyrimidin-4(3H)-one
CID 70785517
5-{[(3R*,4S*)-3-amino-4-cyclopropyl-1-pyrrolidinyl]carbonyl}-2-cyclopropyl-4(3H)-pyrimidinone
CID 72863330
N-[(3R,4S)-1-(cyclobutylmethyl)-4-cyclopropylpyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 72865959
5-{[(3S*,4R*)-3-(dimethylamino)-4-isopropyl-1-pyrrolidinyl]carbonyl}-2-methyl-4(3H)-pyrimidinone
CID 72879237
2-cyclopropyl-N-[rel-(3R,4S)-4-cyclopropyl-1-(3-hydroxypropyl)-3-pyrrolidinyl]-6-oxo-1,6-dihydro-5-pyrimidinecarboxamide hydrochloride
CID 86283656
(7R)-N-cyclopropyl-1'-(cyclopropylmethyl)-2-oxospiro[6,8-dihydropyrrolo[1,2-a]pyrimidine-7,3'-pyrrolidine]-3-carboxamide
CID 124239859
(7S)-N-cyclopropyl-1'-(cyclopropylmethyl)-2-oxospiro[6,8-dihydropyrrolo[1,2-a]pyrimidine-7,3'-pyrrolidine]-3-carboxamide
CID 124239860
N-cyclopropyl-1'-(cyclopropylmethyl)-2-oxospiro[6,8-dihydropyrrolo[1,2-a]pyrimidine-7,3'-pyrrolidine]-3-carboxamide
CID 131669635
N-[(3R*,4S*)-1-(cyclobutylmethyl)-4-cyclopropyl-3-pyrrolidinyl]-2-methyl-6-oxo-1,6-dihydro-5-pyrimidinecarboxamide
CID 133132961
2-cyclopropyl-N-[2-[3-cyclopropylpropanoyl(methyl)amino]ethyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 154784729
N-[(3R,4S)-1-(cyclobutylmethyl)-4-cyclopropylpyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride
CID 154897941
2-cyclopropyl-N-[(3R,4S)-4-cyclopropyl-1-(3-hydroxypropyl)pyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride
CID 154899535

Frequently Asked Questions

What is the IUPAC name of 5-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one (CID 133130457) is 5-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one is N[C@@H]1CN(C(=O)c2cnc(C3CC3)[nH]c2=O)C[C@H]1C1CC1.
What is the InChIKey of 5-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is YTCXKLTUMPFSPB-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H20N4O2/c16-12-7-19(6-11(12)8-1-2-8)15(21)10-5-17-13(9-3-4-9)18-14(10)20/h5,8-9,11-12H,1-4,6-7,16H2,(H,17,18,20)/t11-,12+/m0/s1.
What are the key properties of 5-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one?
5-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 288.35 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 133130457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).