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

C18H24N4 — CID 124846047

IUPAC(4R)-1-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]azepan-4-amine
SMILESCc1cc(-c2ccccc2)nc(CN2CCC[C@@H](N)CC2)n1
InChIInChI=1S/C18H24N4/c1-14-12-17(15-6-3-2-4-7-15)21-18(20-14)13-22-10-5-8-16(19)9-11-22/h2-4,6-7,12,16H,5,8-11,13,19H2,1H3/t16-/m1/s1
InChIKeyIBSCGOBDCDGGSL-MRXNPFEDSA-N
MW296.42 g/mol
LogP2.77
Rot. Bonds3

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

(4R)-1-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]azepan-4-amine (PubChem CID 124846047) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is (4R)-1-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]azepan-4-amine.

Molecular Properties

Compound Name(4R)-1-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]azepan-4-amine
PubChem CID124846047
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name(4R)-1-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]azepan-4-amine
SMILESCc1cc(-c2ccccc2)nc(CN2CCC[C@@H](N)CC2)n1
InChIInChI=1S/C18H24N4/c1-14-12-17(15-6-3-2-4-7-15)21-18(20-14)13-22-10-5-8-16(19)9-11-22/h2-4,6-7,12,16H,5,8-11,13,19H2,1H3/t16-/m1/s1
InChIKeyIBSCGOBDCDGGSL-MRXNPFEDSA-N
XLogP2.77
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-1-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]azepan-4-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
(3R)-1-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]pyrrolidin-3-amine
CID 124753267
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
(4R)-1-methyl-8-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97204698
(4R)-1-(6-methyl-2-phenylpyrimidin-4-yl)azepan-4-amine
CID 95723048
1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine
CID 79234789
6-methyl-2-[(4-methylsulfanylazepan-1-yl)methyl]pyrimidin-4-amine
CID 114237944
4-methyl-6-(1-methylpiperidin-3-yl)-2-(piperidin-1-ylmethyl)pyrimidine
CID 172524149
3-(4-methyl-6-phenylpyrimidin-2-yl)cyclobutan-1-amine
CID 116893630
2-[(4-ethylazepan-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80656898
4-fluoro-2-methyl-6-phenylpyridine
CID 131074497
4-methyl-2-(2-methylpropyl)-6-phenylpyrimidine
CID 70659256

Frequently Asked Questions

What is the IUPAC name of (4R)-1-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]azepan-4-amine?
The IUPAC name of (4R)-1-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]azepan-4-amine (CID 124846047) is (4R)-1-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]azepan-4-amine.
What is the SMILES notation for (4R)-1-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]azepan-4-amine?
The canonical SMILES for (4R)-1-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]azepan-4-amine is Cc1cc(-c2ccccc2)nc(CN2CCC[C@@H](N)CC2)n1.
What is the InChIKey of (4R)-1-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]azepan-4-amine?
The InChIKey is IBSCGOBDCDGGSL-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24N4/c1-14-12-17(15-6-3-2-4-7-15)21-18(20-14)13-22-10-5-8-16(19)9-11-22/h2-4,6-7,12,16H,5,8-11,13,19H2,1H3/t16-/m1/s1.
What are the key properties of (4R)-1-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]azepan-4-amine?
(4R)-1-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]azepan-4-amine has a molecular weight of 296.42 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]azepan-4-amine is sourced from PubChem (CID 124846047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).