[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone

C19H32N4O — CID 72900082

IUPAC[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone
SMILESCc1nc(CC(C)C)cc(C(=O)N2C[C@@H](N(C)C)[C@H](C(C)C)C2)n1
InChIInChI=1S/C19H32N4O/c1-12(2)8-15-9-17(21-14(5)20-15)19(24)23-10-16(13(3)4)18(11-23)22(6)7/h9,12-13,16,18H,8,10-11H2,1-7H3/t16-,18+/m0/s1
InChIKeyNZVXQAZFMIAGGJ-FUHWJXTLSA-N
MW332.49 g/mol
LogP2.64
Rot. Bonds5

About [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone

[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone (PubChem CID 72900082) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone
PubChem CID72900082
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone
SMILESCc1nc(CC(C)C)cc(C(=O)N2C[C@@H](N(C)C)[C@H](C(C)C)C2)n1
InChIInChI=1S/C19H32N4O/c1-12(2)8-15-9-17(21-14(5)20-15)19(24)23-10-16(13(3)4)18(11-23)22(6)7/h9,12-13,16,18H,8,10-11H2,1-7H3/t16-,18+/m0/s1
InChIKeyNZVXQAZFMIAGGJ-FUHWJXTLSA-N
XLogP2.64
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-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 [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone?
The IUPAC name of [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone (CID 72900082) is [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone.
What is the SMILES notation for [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone?
The canonical SMILES for [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone is Cc1nc(CC(C)C)cc(C(=O)N2C[C@@H](N(C)C)[C@H](C(C)C)C2)n1.
What is the InChIKey of [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone?
The InChIKey is NZVXQAZFMIAGGJ-FUHWJXTLSA-N. The full InChI is InChI=1S/C19H32N4O/c1-12(2)8-15-9-17(21-14(5)20-15)19(24)23-10-16(13(3)4)18(11-23)22(6)7/h9,12-13,16,18H,8,10-11H2,1-7H3/t16-,18+/m0/s1.
What are the key properties of [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone?
[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone has a molecular weight of 332.49 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone is sourced from PubChem (CID 72900082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).