[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone

C14H21N3O2 — CID 72906728

IUPAC[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone
SMILESCCCc1ncncc1C(=O)N1C[C@@H](C)[C@@](C)(O)C1
InChIInChI=1S/C14H21N3O2/c1-4-5-12-11(6-15-9-16-12)13(18)17-7-10(2)14(3,19)8-17/h6,9-10,19H,4-5,7-8H2,1-3H3/t10-,14+/m1/s1
InChIKeyIFHZRVOLZFTMHE-YGRLFVJLSA-N
MW263.34 g/mol
LogP1.27
Rot. Bonds3

About [(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone

[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone (PubChem CID 72906728) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is [(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone
PubChem CID72906728
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone
SMILESCCCc1ncncc1C(=O)N1C[C@@H](C)[C@@](C)(O)C1
InChIInChI=1S/C14H21N3O2/c1-4-5-12-11(6-15-9-16-12)13(18)17-7-10(2)14(3,19)8-17/h6,9-10,19H,4-5,7-8H2,1-3H3/t10-,14+/m1/s1
InChIKeyIFHZRVOLZFTMHE-YGRLFVJLSA-N
XLogP1.27
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone with MolForge

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Related Compounds

4-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)pyrimidine-5-carboxamide
CID 53506050
(3R)-3,4,4-trimethyl-1-{[4-methyl-2-(1-piperidinyl)-5-pyrimidinyl]carbonyl}-3-pyrrolidinol
CID 72862751
(3R*,4R*)-3,4-dimethyl-1-{[4-methyl-2-(4-methyl-1-piperazinyl)-5-pyrimidinyl]carbonyl}-3-pyrrolidinol
CID 72887504
8-[(4-Propyl-5-pyrimidinyl)carbonyl]-1-oxa-3,8-diazaspiro[4.6]undecan-2-one
CID 56905303
4-Isopropyl-2-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
CID 61701859
(3R*,4R*)-3-cyclopropyl-4-methyl-1-{[4-methyl-2-(4-methyl-1-piperazinyl)-5-pyrimidinyl]carbonyl}-3-pyrrolidinol
CID 72844765
(3R*,4R*)-3-cyclopropyl-4-methyl-1-[(4-propyl-5-pyrimidinyl)carbonyl]-3-pyrrolidinol
CID 72885951
N-(2-hydroxyethyl)-N-[(1-methyl-1H-imidazol-2-yl)methyl]-4-propylpyrimidine-5-carboxamide
CID 77089005
2-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)-8,9-dihydro-7H-pyrimido[5,4-c]azepin-5-one
CID 110196358
4-ethyl-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrimidine-5-carboxamide
CID 71910600
(3R*,4R*)-3-methyl-1-[(4-propyl-5-pyrimidinyl)carbonyl]-4-(tetrahydro-2H-pyran-4-yl)-4-piperidinol
CID 72913293
N-(2-ethoxy-1,1-dimethylethyl)-4-propylpyrimidine-5-carboxamide
CID 77088387

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone?
The IUPAC name of [(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone (CID 72906728) is [(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone.
What is the SMILES notation for [(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone?
The canonical SMILES for [(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone is CCCc1ncncc1C(=O)N1C[C@@H](C)[C@@](C)(O)C1.
What is the InChIKey of [(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone?
The InChIKey is IFHZRVOLZFTMHE-YGRLFVJLSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-5-12-11(6-15-9-16-12)13(18)17-7-10(2)14(3,19)8-17/h6,9-10,19H,4-5,7-8H2,1-3H3/t10-,14+/m1/s1.
What are the key properties of [(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone?
[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone is sourced from PubChem (CID 72906728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).