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

C17H22N4 — CID 95723048

IUPAC(4R)-1-(6-methyl-2-phenylpyrimidin-4-yl)azepan-4-amine
SMILESCc1cc(N2CCC[C@@H](N)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C17H22N4/c1-13-12-16(21-10-5-8-15(18)9-11-21)20-17(19-13)14-6-3-2-4-7-14/h2-4,6-7,12,15H,5,8-11,18H2,1H3/t15-/m1/s1
InChIKeyWQRXWVKIAVESLO-OAHLLOKOSA-N
MW282.39 g/mol
LogP2.77
Rot. Bonds2

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

(4R)-1-(6-methyl-2-phenylpyrimidin-4-yl)azepan-4-amine (PubChem CID 95723048) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is (4R)-1-(6-methyl-2-phenylpyrimidin-4-yl)azepan-4-amine.

Molecular Properties

Compound Name(4R)-1-(6-methyl-2-phenylpyrimidin-4-yl)azepan-4-amine
PubChem CID95723048
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name(4R)-1-(6-methyl-2-phenylpyrimidin-4-yl)azepan-4-amine
SMILESCc1cc(N2CCC[C@@H](N)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C17H22N4/c1-13-12-16(21-10-5-8-15(18)9-11-21)20-17(19-13)14-6-3-2-4-7-14/h2-4,6-7,12,15H,5,8-11,18H2,1H3/t15-/m1/s1
InChIKeyWQRXWVKIAVESLO-OAHLLOKOSA-N
XLogP2.77
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperidin-4-amine
CID 56767077
1-(6-methyl-2-phenylpyrimidin-4-yl)-N-[(3R)-thiolan-3-yl]piperidin-4-amine
CID 97268462
(3aR,6aS)-5-[1-(6-methyl-2-phenylpyrimidin-4-yl)piperidin-4-yl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 72920514
N-[(3S)-1-(6-methyl-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 95127459
1-(6-methyl-2-phenylpyrimidin-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 72884221
1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 56767515
N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidin-4-amine
CID 97438269
1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 56767522
4-methyl-2-pyridin-3-yl-6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine
CID 133279604
2-phenyl-6-piperidin-1-yl-N-propan-2-ylpyrimidin-4-amine
CID 112879295
4-(6-methyl-2-phenylpyrimidin-4-yl)piperazine-2-carboxylic acid
CID 56867245
[1-[2-(2-fluorophenyl)-6-methylpyrimidin-4-yl]piperidin-4-yl]methanamine
CID 56768235

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(6-methyl-2-phenylpyrimidin-4-yl)azepan-4-amine?
The IUPAC name of (4R)-1-(6-methyl-2-phenylpyrimidin-4-yl)azepan-4-amine (CID 95723048) is (4R)-1-(6-methyl-2-phenylpyrimidin-4-yl)azepan-4-amine.
What is the SMILES notation for (4R)-1-(6-methyl-2-phenylpyrimidin-4-yl)azepan-4-amine?
The canonical SMILES for (4R)-1-(6-methyl-2-phenylpyrimidin-4-yl)azepan-4-amine is Cc1cc(N2CCC[C@@H](N)CC2)nc(-c2ccccc2)n1.
What is the InChIKey of (4R)-1-(6-methyl-2-phenylpyrimidin-4-yl)azepan-4-amine?
The InChIKey is WQRXWVKIAVESLO-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22N4/c1-13-12-16(21-10-5-8-15(18)9-11-21)20-17(19-13)14-6-3-2-4-7-14/h2-4,6-7,12,15H,5,8-11,18H2,1H3/t15-/m1/s1.
What are the key properties of (4R)-1-(6-methyl-2-phenylpyrimidin-4-yl)azepan-4-amine?
(4R)-1-(6-methyl-2-phenylpyrimidin-4-yl)azepan-4-amine has a molecular weight of 282.39 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(6-methyl-2-phenylpyrimidin-4-yl)azepan-4-amine is sourced from PubChem (CID 95723048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).