6-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione

C12H16N4O3 — CID 133117266

IUPAC6-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESN[C@@H]1CN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)C[C@H]1C1CC1
InChIInChI=1S/C12H16N4O3/c13-8-5-16(4-7(8)6-1-2-6)11(18)9-3-10(17)15-12(19)14-9/h3,6-8H,1-2,4-5,13H2,(H2,14,15,17,19)/t7-,8+/m0/s1
InChIKeyIQYOYRWGDRNTCC-JGVFFNPUSA-N
MW264.28 g/mol
LogP-1.13
Rot. Bonds2

About 6-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione

6-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 133117266) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 6-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID133117266
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name6-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESN[C@@H]1CN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)C[C@H]1C1CC1
InChIInChI=1S/C12H16N4O3/c13-8-5-16(4-7(8)6-1-2-6)11(18)9-3-10(17)15-12(19)14-9/h3,6-8H,1-2,4-5,13H2,(H2,14,15,17,19)/t7-,8+/m0/s1
InChIKeyIQYOYRWGDRNTCC-JGVFFNPUSA-N
XLogP-1.13
TPSA112.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

6-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 72912015
6-(3-aminoazetidine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 65244753
6-(3-aminopiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 61297937
4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-methyl-1H-quinolin-2-one
CID 72879693
6-(3-piperazin-1-ylazetidine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 66202057
[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 72882169
6-[2-(1-aminoethyl)morpholine-4-carbonyl]-1H-pyrimidine-2,4-dione
CID 115315193
6-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 106837060
(3-amino-4-cyclopropylpyrrolidin-1-yl)-(5-chloro-2-fluorophenyl)methanone
CID 156604160
[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[4-(hydroxymethyl)phenyl]methanone
CID 133115424
(3-amino-4-cyclopropylpyrrolidin-1-yl)-[3-(1H-imidazol-2-yl)phenyl]methanone
CID 156606440
[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(5-cyclohexyl-1H-pyrazol-4-yl)methanone
CID 72845696

Frequently Asked Questions

What is the IUPAC name of 6-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 133117266) is 6-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione is N[C@@H]1CN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)C[C@H]1C1CC1.
What is the InChIKey of 6-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is IQYOYRWGDRNTCC-JGVFFNPUSA-N. The full InChI is InChI=1S/C12H16N4O3/c13-8-5-16(4-7(8)6-1-2-6)11(18)9-3-10(17)15-12(19)14-9/h3,6-8H,1-2,4-5,13H2,(H2,14,15,17,19)/t7-,8+/m0/s1.
What are the key properties of 6-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
6-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 264.28 g/mol, XLogP of -1.13, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 133117266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).