[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-propan-2-ylpyrimidin-4-yl)methanone

C15H22N4O — CID 72857919

IUPAC[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-propan-2-ylpyrimidin-4-yl)methanone
SMILESCC(C)c1nccc(C(=O)N2C[C@H](C3CC3)[C@@H](N)C2)n1
InChIInChI=1S/C15H22N4O/c1-9(2)14-17-6-5-13(18-14)15(20)19-7-11(10-3-4-10)12(16)8-19/h5-6,9-12H,3-4,7-8,16H2,1-2H3/t11-,12+/m1/s1
InChIKeyXHTYCEAONPFIPR-NEPJUHHUSA-N
MW274.37 g/mol
LogP1.41
Rot. Bonds3

About [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-propan-2-ylpyrimidin-4-yl)methanone

[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-propan-2-ylpyrimidin-4-yl)methanone (PubChem CID 72857919) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-propan-2-ylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-propan-2-ylpyrimidin-4-yl)methanone
PubChem CID72857919
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-propan-2-ylpyrimidin-4-yl)methanone
SMILESCC(C)c1nccc(C(=O)N2C[C@H](C3CC3)[C@@H](N)C2)n1
InChIInChI=1S/C15H22N4O/c1-9(2)14-17-6-5-13(18-14)15(20)19-7-11(10-3-4-10)12(16)8-19/h5-6,9-12H,3-4,7-8,16H2,1-2H3/t11-,12+/m1/s1
InChIKeyXHTYCEAONPFIPR-NEPJUHHUSA-N
XLogP1.41
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-propan-2-ylpyrimidin-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-propan-2-ylpyrimidin-4-yl)methanone?
The IUPAC name of [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-propan-2-ylpyrimidin-4-yl)methanone (CID 72857919) is [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-propan-2-ylpyrimidin-4-yl)methanone.
What is the SMILES notation for [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-propan-2-ylpyrimidin-4-yl)methanone?
The canonical SMILES for [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-propan-2-ylpyrimidin-4-yl)methanone is CC(C)c1nccc(C(=O)N2C[C@H](C3CC3)[C@@H](N)C2)n1.
What is the InChIKey of [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-propan-2-ylpyrimidin-4-yl)methanone?
The InChIKey is XHTYCEAONPFIPR-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H22N4O/c1-9(2)14-17-6-5-13(18-14)15(20)19-7-11(10-3-4-10)12(16)8-19/h5-6,9-12H,3-4,7-8,16H2,1-2H3/t11-,12+/m1/s1.
What are the key properties of [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-propan-2-ylpyrimidin-4-yl)methanone?
[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-propan-2-ylpyrimidin-4-yl)methanone has a molecular weight of 274.37 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-propan-2-ylpyrimidin-4-yl)methanone is sourced from PubChem (CID 72857919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).