[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-methyl-4-propan-2-ylpyrimidin-5-yl)methanone

C20H26N4O — CID 120744528

IUPAC[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-methyl-4-propan-2-ylpyrimidin-5-yl)methanone
SMILESCc1ncc(C(=O)N2C[C@@H](CN)[C@H](c3ccccc3)C2)c(C(C)C)n1
InChIInChI=1S/C20H26N4O/c1-13(2)19-17(10-22-14(3)23-19)20(25)24-11-16(9-21)18(12-24)15-7-5-4-6-8-15/h4-8,10,13,16,18H,9,11-12,21H2,1-3H3/t16-,18+/m1/s1
InChIKeyCCNBNIBTMCNAOB-AEFFLSMTSA-N
MW338.46 g/mol
LogP2.72
Rot. Bonds4

About [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-methyl-4-propan-2-ylpyrimidin-5-yl)methanone

[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-methyl-4-propan-2-ylpyrimidin-5-yl)methanone (PubChem CID 120744528) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-methyl-4-propan-2-ylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-methyl-4-propan-2-ylpyrimidin-5-yl)methanone
PubChem CID120744528
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-methyl-4-propan-2-ylpyrimidin-5-yl)methanone
SMILESCc1ncc(C(=O)N2C[C@@H](CN)[C@H](c3ccccc3)C2)c(C(C)C)n1
InChIInChI=1S/C20H26N4O/c1-13(2)19-17(10-22-14(3)23-19)20(25)24-11-16(9-21)18(12-24)15-7-5-4-6-8-15/h4-8,10,13,16,18H,9,11-12,21H2,1-3H3/t16-,18+/m1/s1
InChIKeyCCNBNIBTMCNAOB-AEFFLSMTSA-N
XLogP2.72
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-methyl-4-propan-2-ylpyrimidin-5-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

Related Compounds

[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone
CID 120745231
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone;hydrochloride
CID 120745230
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methanone
CID 120743156
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone;dihydrochloride
CID 120741824
1-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]phenyl]ethanone;hydrochloride
CID 120744819
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone;dihydrochloride
CID 120742851
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-propan-2-yloxyphenyl)methanone
CID 120742441
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-fluoro-3-methylphenyl)methanone
CID 120745883
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(4-methylthiophen-3-yl)methanone;hydrochloride
CID 120742923
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone;hydrochloride
CID 120744855
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone;dihydrochloride
CID 120743401
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(1-tert-butyl-5-ethylpyrazol-4-yl)methanone;hydrochloride
CID 120742000

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-methyl-4-propan-2-ylpyrimidin-5-yl)methanone?
The IUPAC name of [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-methyl-4-propan-2-ylpyrimidin-5-yl)methanone (CID 120744528) is [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-methyl-4-propan-2-ylpyrimidin-5-yl)methanone.
What is the SMILES notation for [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-methyl-4-propan-2-ylpyrimidin-5-yl)methanone?
The canonical SMILES for [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-methyl-4-propan-2-ylpyrimidin-5-yl)methanone is Cc1ncc(C(=O)N2C[C@@H](CN)[C@H](c3ccccc3)C2)c(C(C)C)n1.
What is the InChIKey of [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-methyl-4-propan-2-ylpyrimidin-5-yl)methanone?
The InChIKey is CCNBNIBTMCNAOB-AEFFLSMTSA-N. The full InChI is InChI=1S/C20H26N4O/c1-13(2)19-17(10-22-14(3)23-19)20(25)24-11-16(9-21)18(12-24)15-7-5-4-6-8-15/h4-8,10,13,16,18H,9,11-12,21H2,1-3H3/t16-,18+/m1/s1.
What are the key properties of [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-methyl-4-propan-2-ylpyrimidin-5-yl)methanone?
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-methyl-4-propan-2-ylpyrimidin-5-yl)methanone has a molecular weight of 338.46 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-methyl-4-propan-2-ylpyrimidin-5-yl)methanone is sourced from PubChem (CID 120744528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).