2-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidin-4-amine

C19H25FN4 — CID 112917516

IUPAC2-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidin-4-amine
SMILESCCC1CCCCN1c1nc(C)cc(NCc2ccc(F)cc2)n1
InChIInChI=1S/C19H25FN4/c1-3-17-6-4-5-11-24(17)19-22-14(2)12-18(23-19)21-13-15-7-9-16(20)10-8-15/h7-10,12,17H,3-6,11,13H2,1-2H3,(H,21,22,23)
InChIKeyQFPKFZIGCAXAFC-UHFFFAOYSA-N
MW328.44 g/mol
LogP4.31
Rot. Bonds5

About 2-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidin-4-amine

2-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidin-4-amine (PubChem CID 112917516) has the molecular formula C19H25FN4 and a molecular weight of 328.44 g/mol. Its IUPAC name is 2-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidin-4-amine
PubChem CID112917516
Molecular FormulaC19H25FN4
Molecular Weight328.44 g/mol
Exact Mass328.21
IUPAC Name2-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidin-4-amine
SMILESCCC1CCCCN1c1nc(C)cc(NCc2ccc(F)cc2)n1
InChIInChI=1S/C19H25FN4/c1-3-17-6-4-5-11-24(17)19-22-14(2)12-18(23-19)21-13-15-7-9-16(20)10-8-15/h7-10,12,17H,3-6,11,13H2,1-2H3,(H,21,22,23)
InChIKeyQFPKFZIGCAXAFC-UHFFFAOYSA-N
XLogP4.31
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethylpiperidin-1-yl)-6-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 112919761
3-(2-ethylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-5-amine
CID 112952514
N-(4-chlorophenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine
CID 112925978
N-(2,4-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine
CID 112925963
N-benzyl-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112947575
3-(2-ethylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-5-amine
CID 112951064
1-[4-[4-[(4-fluorophenyl)methylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112914973
4-[4-[(4-fluorophenyl)methylamino]-6-methylpyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112914652
N-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine
CID 112921706
N-(4-chloro-2-methylphenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine
CID 112925981
3-(2-ethylpiperidin-1-yl)-N-(4-fluorophenyl)-1,2,4-triazin-5-amine
CID 112960507
2-(2-ethylpiperidin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 112925995

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidin-4-amine (CID 112917516) is 2-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidin-4-amine is CCC1CCCCN1c1nc(C)cc(NCc2ccc(F)cc2)n1.
What is the InChIKey of 2-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidin-4-amine?
The InChIKey is QFPKFZIGCAXAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4/c1-3-17-6-4-5-11-24(17)19-22-14(2)12-18(23-19)21-13-15-7-9-16(20)10-8-15/h7-10,12,17H,3-6,11,13H2,1-2H3,(H,21,22,23).
What are the key properties of 2-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidin-4-amine?
2-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidin-4-amine has a molecular weight of 328.44 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 112917516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).