4-methyl-6-[2-(2-methylphenyl)azepan-1-yl]pyrimidin-2-amine

C18H24N4 — CID 146215377

IUPAC4-methyl-6-[2-(2-methylphenyl)azepan-1-yl]pyrimidin-2-amine
SMILESCc1cc(N2CCCCCC2c2ccccc2C)nc(N)n1
InChIInChI=1S/C18H24N4/c1-13-8-5-6-9-15(13)16-10-4-3-7-11-22(16)17-12-14(2)20-18(19)21-17/h5-6,8-9,12,16H,3-4,7,10-11H2,1-2H3,(H2,19,20,21)
InChIKeyUOHXNTBWCINMDC-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.80
Rot. Bonds2

About 4-methyl-6-[2-(2-methylphenyl)azepan-1-yl]pyrimidin-2-amine

4-methyl-6-[2-(2-methylphenyl)azepan-1-yl]pyrimidin-2-amine (PubChem CID 146215377) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 4-methyl-6-[2-(2-methylphenyl)azepan-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[2-(2-methylphenyl)azepan-1-yl]pyrimidin-2-amine
PubChem CID146215377
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name4-methyl-6-[2-(2-methylphenyl)azepan-1-yl]pyrimidin-2-amine
SMILESCc1cc(N2CCCCCC2c2ccccc2C)nc(N)n1
InChIInChI=1S/C18H24N4/c1-13-8-5-6-9-15(13)16-10-4-3-7-11-22(16)17-12-14(2)20-18(19)21-17/h5-6,8-9,12,16H,3-4,7,10-11H2,1-2H3,(H2,19,20,21)
InChIKeyUOHXNTBWCINMDC-UHFFFAOYSA-N
XLogP3.80
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2R)-2-(2-methoxyphenyl)azepan-1-yl]-6-methylpyrimidin-2-amine
CID 146193903
4-[(2R)-2-(2-cyclopropyl-4-fluorophenyl)azepan-1-yl]-6-methylpyrimidin-2-amine
CID 146214825
4-[(2S)-2-(2-fluoro-5-methoxyphenyl)azepan-1-yl]-6-methylpyrimidin-2-amine
CID 146193634
3-[(2R)-1-(2-amino-6-methylpyrimidin-4-yl)azepan-2-yl]-4-methoxyphenol
CID 146193661
4-[2-(2-ethyl-5-fluorophenyl)azepan-1-yl]-6-methylpyrimidin-2-amine
CID 167006672
3-[(2S)-1-(2-amino-6-methylpyrimidin-4-yl)azepan-2-yl]-4-methoxyphenol
CID 146214854
4-[(2R)-2-(2-chloro-5-methoxyphenyl)azepan-1-yl]-6-methylpyrimidin-2-amine
CID 146193610
4-[2-(2,5-dimethoxy-4-pyridinyl)azepan-1-yl]-6-methylpyrimidin-2-amine
CID 146193899
methyl 3-[1-(2-amino-6-methylpyrimidin-4-yl)azepan-2-yl]-4-methoxybenzoate
CID 146215409
4-methyl-6-[2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidin-2-amine
CID 110272281
4-[2-[3-(benzotriazol-1-yl)phenyl]azepan-1-yl]-6-methylpyrimidin-2-amine
CID 167006627
[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-2-yl]methanol
CID 112726024

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[2-(2-methylphenyl)azepan-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-[2-(2-methylphenyl)azepan-1-yl]pyrimidin-2-amine (CID 146215377) is 4-methyl-6-[2-(2-methylphenyl)azepan-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-[2-(2-methylphenyl)azepan-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-[2-(2-methylphenyl)azepan-1-yl]pyrimidin-2-amine is Cc1cc(N2CCCCCC2c2ccccc2C)nc(N)n1.
What is the InChIKey of 4-methyl-6-[2-(2-methylphenyl)azepan-1-yl]pyrimidin-2-amine?
The InChIKey is UOHXNTBWCINMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-13-8-5-6-9-15(13)16-10-4-3-7-11-22(16)17-12-14(2)20-18(19)21-17/h5-6,8-9,12,16H,3-4,7,10-11H2,1-2H3,(H2,19,20,21).
What are the key properties of 4-methyl-6-[2-(2-methylphenyl)azepan-1-yl]pyrimidin-2-amine?
4-methyl-6-[2-(2-methylphenyl)azepan-1-yl]pyrimidin-2-amine has a molecular weight of 296.42 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[2-(2-methylphenyl)azepan-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 146215377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).