6-(azepan-1-yl)-N-(2,6-difluorophenyl)-2-methylpyrimidin-4-amine

C17H20F2N4 — CID 112876851

IUPAC6-(azepan-1-yl)-N-(2,6-difluorophenyl)-2-methylpyrimidin-4-amine
SMILESCc1nc(Nc2c(F)cccc2F)cc(N2CCCCCC2)n1
InChIInChI=1S/C17H20F2N4/c1-12-20-15(22-17-13(18)7-6-8-14(17)19)11-16(21-12)23-9-4-2-3-5-10-23/h6-8,11H,2-5,9-10H2,1H3,(H,20,21,22)
InChIKeyGQMLXDUZPYBCQG-UHFFFAOYSA-N
MW318.37 g/mol
LogP4.19
Rot. Bonds3

About 6-(azepan-1-yl)-N-(2,6-difluorophenyl)-2-methylpyrimidin-4-amine

6-(azepan-1-yl)-N-(2,6-difluorophenyl)-2-methylpyrimidin-4-amine (PubChem CID 112876851) has the molecular formula C17H20F2N4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 6-(azepan-1-yl)-N-(2,6-difluorophenyl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(azepan-1-yl)-N-(2,6-difluorophenyl)-2-methylpyrimidin-4-amine
PubChem CID112876851
Molecular FormulaC17H20F2N4
Molecular Weight318.37 g/mol
Exact Mass318.17
IUPAC Name6-(azepan-1-yl)-N-(2,6-difluorophenyl)-2-methylpyrimidin-4-amine
SMILESCc1nc(Nc2c(F)cccc2F)cc(N2CCCCCC2)n1
InChIInChI=1S/C17H20F2N4/c1-12-20-15(22-17-13(18)7-6-8-14(17)19)11-16(21-12)23-9-4-2-3-5-10-23/h6-8,11H,2-5,9-10H2,1H3,(H,20,21,22)
InChIKeyGQMLXDUZPYBCQG-UHFFFAOYSA-N
XLogP4.19
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-difluorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-amine
CID 112873908
ethyl 4-[6-(2,6-difluoroanilino)-2-methylpyrimidin-4-yl]piperazine-1-carboxylate
CID 112875319
N-(2,6-difluorophenyl)-2-methyl-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 109363612
N-(2-bromophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868937
N-(2,4-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868570
N-(3-chloro-4-fluorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868898
N-(2,6-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362878
N-(2-chlorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868891
2-fluoro-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 46267964
4-N-(2,6-difluorophenyl)-6-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112877504
N-(3-chlorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868516
2-methyl-6-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112868540

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-N-(2,6-difluorophenyl)-2-methylpyrimidin-4-amine?
The IUPAC name of 6-(azepan-1-yl)-N-(2,6-difluorophenyl)-2-methylpyrimidin-4-amine (CID 112876851) is 6-(azepan-1-yl)-N-(2,6-difluorophenyl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(azepan-1-yl)-N-(2,6-difluorophenyl)-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-(azepan-1-yl)-N-(2,6-difluorophenyl)-2-methylpyrimidin-4-amine is Cc1nc(Nc2c(F)cccc2F)cc(N2CCCCCC2)n1.
What is the InChIKey of 6-(azepan-1-yl)-N-(2,6-difluorophenyl)-2-methylpyrimidin-4-amine?
The InChIKey is GQMLXDUZPYBCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4/c1-12-20-15(22-17-13(18)7-6-8-14(17)19)11-16(21-12)23-9-4-2-3-5-10-23/h6-8,11H,2-5,9-10H2,1H3,(H,20,21,22).
What are the key properties of 6-(azepan-1-yl)-N-(2,6-difluorophenyl)-2-methylpyrimidin-4-amine?
6-(azepan-1-yl)-N-(2,6-difluorophenyl)-2-methylpyrimidin-4-amine has a molecular weight of 318.37 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-N-(2,6-difluorophenyl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 112876851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).