4-[(2R)-2-(2-methoxyphenyl)azepan-1-yl]-6-methylpyrimidin-2-amine

C18H24N4O — CID 146193903

IUPAC4-[(2R)-2-(2-methoxyphenyl)azepan-1-yl]-6-methylpyrimidin-2-amine
SMILESCOc1ccccc1[C@H]1CCCCCN1c1cc(C)nc(N)n1
InChIInChI=1S/C18H24N4O/c1-13-12-17(21-18(19)20-13)22-11-7-3-4-9-15(22)14-8-5-6-10-16(14)23-2/h5-6,8,10,12,15H,3-4,7,9,11H2,1-2H3,(H2,19,20,21)/t15-/m1/s1
InChIKeyONSSWCKGIYYUAH-OAHLLOKOSA-N
MW312.42 g/mol
LogP3.50
Rot. Bonds3

About 4-[(2R)-2-(2-methoxyphenyl)azepan-1-yl]-6-methylpyrimidin-2-amine

4-[(2R)-2-(2-methoxyphenyl)azepan-1-yl]-6-methylpyrimidin-2-amine (PubChem CID 146193903) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 4-[(2R)-2-(2-methoxyphenyl)azepan-1-yl]-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(2R)-2-(2-methoxyphenyl)azepan-1-yl]-6-methylpyrimidin-2-amine
PubChem CID146193903
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name4-[(2R)-2-(2-methoxyphenyl)azepan-1-yl]-6-methylpyrimidin-2-amine
SMILESCOc1ccccc1[C@H]1CCCCCN1c1cc(C)nc(N)n1
InChIInChI=1S/C18H24N4O/c1-13-12-17(21-18(19)20-13)22-11-7-3-4-9-15(22)14-8-5-6-10-16(14)23-2/h5-6,8,10,12,15H,3-4,7,9,11H2,1-2H3,(H2,19,20,21)/t15-/m1/s1
InChIKeyONSSWCKGIYYUAH-OAHLLOKOSA-N
XLogP3.50
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-6-[2-(2-methylphenyl)azepan-1-yl]pyrimidin-2-amine
CID 146215377
3-[(2R)-1-(2-amino-6-methylpyrimidin-4-yl)azepan-2-yl]-4-methoxyphenol
CID 146193661
3-[(2S)-1-(2-amino-6-methylpyrimidin-4-yl)azepan-2-yl]-4-methoxyphenol
CID 146214854
methyl 3-[1-(2-amino-6-methylpyrimidin-4-yl)azepan-2-yl]-4-methoxybenzoate
CID 146215409
4-[2-(2,5-dimethoxy-4-pyridinyl)azepan-1-yl]-6-methylpyrimidin-2-amine
CID 146193899
2-(methoxymethyl)-4-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-6-methylpyrimidine
CID 119032937
4-[(2S)-2-(2-fluoro-5-methoxyphenyl)azepan-1-yl]-6-methylpyrimidin-2-amine
CID 146193634
4-[(2R)-2-(2-chloro-5-methoxyphenyl)azepan-1-yl]-6-methylpyrimidin-2-amine
CID 146193610
4-[(2R)-2-(2-cyclopropyl-4-fluorophenyl)azepan-1-yl]-6-methylpyrimidin-2-amine
CID 146214825
4-[2-(2-ethyl-5-fluorophenyl)azepan-1-yl]-6-methylpyrimidin-2-amine
CID 167006672
4-[(3R)-3-(2,5-dimethoxyphenyl)-1,4-oxazepan-4-yl]-6-methylpyrimidin-2-amine
CID 146193690
4-[2-[3-(benzotriazol-1-yl)phenyl]azepan-1-yl]-6-methylpyrimidin-2-amine
CID 167006627

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-(2-methoxyphenyl)azepan-1-yl]-6-methylpyrimidin-2-amine?
The IUPAC name of 4-[(2R)-2-(2-methoxyphenyl)azepan-1-yl]-6-methylpyrimidin-2-amine (CID 146193903) is 4-[(2R)-2-(2-methoxyphenyl)azepan-1-yl]-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[(2R)-2-(2-methoxyphenyl)azepan-1-yl]-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-[(2R)-2-(2-methoxyphenyl)azepan-1-yl]-6-methylpyrimidin-2-amine is COc1ccccc1[C@H]1CCCCCN1c1cc(C)nc(N)n1.
What is the InChIKey of 4-[(2R)-2-(2-methoxyphenyl)azepan-1-yl]-6-methylpyrimidin-2-amine?
The InChIKey is ONSSWCKGIYYUAH-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N4O/c1-13-12-17(21-18(19)20-13)22-11-7-3-4-9-15(22)14-8-5-6-10-16(14)23-2/h5-6,8,10,12,15H,3-4,7,9,11H2,1-2H3,(H2,19,20,21)/t15-/m1/s1.
What are the key properties of 4-[(2R)-2-(2-methoxyphenyl)azepan-1-yl]-6-methylpyrimidin-2-amine?
4-[(2R)-2-(2-methoxyphenyl)azepan-1-yl]-6-methylpyrimidin-2-amine has a molecular weight of 312.42 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-(2-methoxyphenyl)azepan-1-yl]-6-methylpyrimidin-2-amine is sourced from PubChem (CID 146193903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).