2-(2-ethylpiperidin-1-yl)-6-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine

C18H25N5 — CID 112919761

IUPAC2-(2-ethylpiperidin-1-yl)-6-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
SMILESCCC1CCCCN1c1nc(C)cc(NCc2ccncc2)n1
InChIInChI=1S/C18H25N5/c1-3-16-6-4-5-11-23(16)18-21-14(2)12-17(22-18)20-13-15-7-9-19-10-8-15/h7-10,12,16H,3-6,11,13H2,1-2H3,(H,20,21,22)
InChIKeySOUDBISLOWVBFI-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.56
Rot. Bonds5

About 2-(2-ethylpiperidin-1-yl)-6-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine

2-(2-ethylpiperidin-1-yl)-6-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine (PubChem CID 112919761) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-(2-ethylpiperidin-1-yl)-6-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-ethylpiperidin-1-yl)-6-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
PubChem CID112919761
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC Name2-(2-ethylpiperidin-1-yl)-6-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
SMILESCCC1CCCCN1c1nc(C)cc(NCc2ccncc2)n1
InChIInChI=1S/C18H25N5/c1-3-16-6-4-5-11-23(16)18-21-14(2)12-17(22-18)20-13-15-7-9-19-10-8-15/h7-10,12,16H,3-6,11,13H2,1-2H3,(H,20,21,22)
InChIKeySOUDBISLOWVBFI-UHFFFAOYSA-N
XLogP3.56
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidin-4-amine
CID 112917516
3-(2-ethylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-5-amine
CID 112952514
2-(2-ethylpiperidin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112937236
N-(4-chlorophenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine
CID 112925978
N-(4-chloro-2-methylphenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine
CID 112925981
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
N-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine
CID 112921706
3-(2-ethylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-5-amine
CID 112951064
2-(2-ethylpiperidin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 112925995
ethyl 4-[[2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-yl]amino]benzoate
CID 112926026
ethyl 4-[4-methyl-6-(pyridin-4-ylmethylamino)pyrimidin-2-yl]piperazine-1-carboxylate
CID 112919741

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpiperidin-1-yl)-6-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-(2-ethylpiperidin-1-yl)-6-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine (CID 112919761) is 2-(2-ethylpiperidin-1-yl)-6-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(2-ethylpiperidin-1-yl)-6-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(2-ethylpiperidin-1-yl)-6-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine is CCC1CCCCN1c1nc(C)cc(NCc2ccncc2)n1.
What is the InChIKey of 2-(2-ethylpiperidin-1-yl)-6-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine?
The InChIKey is SOUDBISLOWVBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-3-16-6-4-5-11-23(16)18-21-14(2)12-17(22-18)20-13-15-7-9-19-10-8-15/h7-10,12,16H,3-6,11,13H2,1-2H3,(H,20,21,22).
What are the key properties of 2-(2-ethylpiperidin-1-yl)-6-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine?
2-(2-ethylpiperidin-1-yl)-6-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine has a molecular weight of 311.43 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpiperidin-1-yl)-6-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 112919761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).