(3R)-1-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]pyrrolidin-3-amine

C16H20N4 — CID 124753267

IUPAC(3R)-1-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]pyrrolidin-3-amine
SMILESCc1cc(-c2ccccc2)nc(CN2CC[C@@H](N)C2)n1
InChIInChI=1S/C16H20N4/c1-12-9-15(13-5-3-2-4-6-13)19-16(18-12)11-20-8-7-14(17)10-20/h2-6,9,14H,7-8,10-11,17H2,1H3/t14-/m1/s1
InChIKeyLQZFMJVTFURXJM-CQSZACIVSA-N
MW268.36 g/mol
LogP1.99
Rot. Bonds3

About (3R)-1-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]pyrrolidin-3-amine

(3R)-1-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]pyrrolidin-3-amine (PubChem CID 124753267) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is (3R)-1-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]pyrrolidin-3-amine
PubChem CID124753267
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name(3R)-1-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]pyrrolidin-3-amine
SMILESCc1cc(-c2ccccc2)nc(CN2CC[C@@H](N)C2)n1
InChIInChI=1S/C16H20N4/c1-12-9-15(13-5-3-2-4-6-13)19-16(18-12)11-20-8-7-14(17)10-20/h2-6,9,14H,7-8,10-11,17H2,1H3/t14-/m1/s1
InChIKeyLQZFMJVTFURXJM-CQSZACIVSA-N
XLogP1.99
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]pyrrolidin-3-amine 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

(4S)-1-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]azepan-4-amine
CID 124846046
(4R)-1-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]azepan-4-amine
CID 124846047
1-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-amine
CID 102550613
1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
CID 62068171
1-[(4-phenylphenyl)methyl]pyrrolidin-3-amine
CID 62068870
(4R)-1-methyl-8-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97204698
1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine
CID 79234789
(3S)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119933954
3-(4-methyl-6-phenylpyrimidin-2-yl)cyclobutan-1-amine
CID 116893630
1-[5-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propan-1-ol
CID 91771597
4-methyl-2-(2-methylpropyl)-6-phenylpyrimidine
CID 70659256
(3S)-1-[(3-chloro-4-methylquinolin-2-yl)methyl]pyrrolidin-3-amine
CID 81492580

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]pyrrolidin-3-amine (CID 124753267) is (3R)-1-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]pyrrolidin-3-amine is Cc1cc(-c2ccccc2)nc(CN2CC[C@@H](N)C2)n1.
What is the InChIKey of (3R)-1-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]pyrrolidin-3-amine?
The InChIKey is LQZFMJVTFURXJM-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N4/c1-12-9-15(13-5-3-2-4-6-13)19-16(18-12)11-20-8-7-14(17)10-20/h2-6,9,14H,7-8,10-11,17H2,1H3/t14-/m1/s1.
What are the key properties of (3R)-1-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]pyrrolidin-3-amine?
(3R)-1-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]pyrrolidin-3-amine has a molecular weight of 268.36 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 124753267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).