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

C20H25FN4 — CID 146214825

IUPAC4-[(2R)-2-(2-cyclopropyl-4-fluorophenyl)azepan-1-yl]-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCCCC[C@@H]2c2ccc(F)cc2C2CC2)nc(N)n1
InChIInChI=1S/C20H25FN4/c1-13-11-19(24-20(22)23-13)25-10-4-2-3-5-18(25)16-9-8-15(21)12-17(16)14-6-7-14/h8-9,11-12,14,18H,2-7,10H2,1H3,(H2,22,23,24)/t18-/m1/s1
InChIKeyKTOLNDRFGUTDTM-GOSISDBHSA-N
MW340.45 g/mol
LogP4.51
Rot. Bonds3

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

4-[(2R)-2-(2-cyclopropyl-4-fluorophenyl)azepan-1-yl]-6-methylpyrimidin-2-amine (PubChem CID 146214825) has the molecular formula C20H25FN4 and a molecular weight of 340.45 g/mol. Its IUPAC name is 4-[(2R)-2-(2-cyclopropyl-4-fluorophenyl)azepan-1-yl]-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(2R)-2-(2-cyclopropyl-4-fluorophenyl)azepan-1-yl]-6-methylpyrimidin-2-amine
PubChem CID146214825
Molecular FormulaC20H25FN4
Molecular Weight340.45 g/mol
Exact Mass340.21
IUPAC Name4-[(2R)-2-(2-cyclopropyl-4-fluorophenyl)azepan-1-yl]-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCCCC[C@@H]2c2ccc(F)cc2C2CC2)nc(N)n1
InChIInChI=1S/C20H25FN4/c1-13-11-19(24-20(22)23-13)25-10-4-2-3-5-18(25)16-9-8-15(21)12-17(16)14-6-7-14/h8-9,11-12,14,18H,2-7,10H2,1H3,(H2,22,23,24)/t18-/m1/s1
InChIKeyKTOLNDRFGUTDTM-GOSISDBHSA-N
XLogP4.51
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2-ethyl-5-fluorophenyl)azepan-1-yl]-6-methylpyrimidin-2-amine
CID 167006672
4-methyl-6-[2-(2-methylphenyl)azepan-1-yl]pyrimidin-2-amine
CID 146215377
4-[(2S)-2-(2-fluoro-5-methoxyphenyl)azepan-1-yl]-6-methylpyrimidin-2-amine
CID 146193634
4-[(2R)-2-(2-methoxyphenyl)azepan-1-yl]-6-methylpyrimidin-2-amine
CID 146193903
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
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
[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-2-yl]methanol
CID 112726024
4-(2-cyclopentylpyrrolidin-1-yl)-6-methylpyrimidin-2-amine
CID 47299157
4-methyl-6-(2-propylpiperidin-1-yl)pyrimidin-2-amine
CID 83056730

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-(2-cyclopropyl-4-fluorophenyl)azepan-1-yl]-6-methylpyrimidin-2-amine?
The IUPAC name of 4-[(2R)-2-(2-cyclopropyl-4-fluorophenyl)azepan-1-yl]-6-methylpyrimidin-2-amine (CID 146214825) is 4-[(2R)-2-(2-cyclopropyl-4-fluorophenyl)azepan-1-yl]-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[(2R)-2-(2-cyclopropyl-4-fluorophenyl)azepan-1-yl]-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-[(2R)-2-(2-cyclopropyl-4-fluorophenyl)azepan-1-yl]-6-methylpyrimidin-2-amine is Cc1cc(N2CCCCC[C@@H]2c2ccc(F)cc2C2CC2)nc(N)n1.
What is the InChIKey of 4-[(2R)-2-(2-cyclopropyl-4-fluorophenyl)azepan-1-yl]-6-methylpyrimidin-2-amine?
The InChIKey is KTOLNDRFGUTDTM-GOSISDBHSA-N. The full InChI is InChI=1S/C20H25FN4/c1-13-11-19(24-20(22)23-13)25-10-4-2-3-5-18(25)16-9-8-15(21)12-17(16)14-6-7-14/h8-9,11-12,14,18H,2-7,10H2,1H3,(H2,22,23,24)/t18-/m1/s1.
What are the key properties of 4-[(2R)-2-(2-cyclopropyl-4-fluorophenyl)azepan-1-yl]-6-methylpyrimidin-2-amine?
4-[(2R)-2-(2-cyclopropyl-4-fluorophenyl)azepan-1-yl]-6-methylpyrimidin-2-amine has a molecular weight of 340.45 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-(2-cyclopropyl-4-fluorophenyl)azepan-1-yl]-6-methylpyrimidin-2-amine is sourced from PubChem (CID 146214825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).