N-(2-ethylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine

C19H26N4 — CID 112926176

IUPACN-(2-ethylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCCc1ccccc1Nc1cc(C)nc(N2CCCC(C)C2)n1
InChIInChI=1S/C19H26N4/c1-4-16-9-5-6-10-17(16)21-18-12-15(3)20-19(22-18)23-11-7-8-14(2)13-23/h5-6,9-10,12,14H,4,7-8,11,13H2,1-3H3,(H,20,21,22)
InChIKeyAYNPIOHLYKXZFD-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.33
Rot. Bonds4

About N-(2-ethylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine

N-(2-ethylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 112926176) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-(2-ethylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-ethylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID112926176
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC NameN-(2-ethylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCCc1ccccc1Nc1cc(C)nc(N2CCCC(C)C2)n1
InChIInChI=1S/C19H26N4/c1-4-16-9-5-6-10-17(16)21-18-12-15(3)20-19(22-18)23-11-7-8-14(2)13-23/h5-6,9-10,12,14H,4,7-8,11,13H2,1-3H3,(H,20,21,22)
InChIKeyAYNPIOHLYKXZFD-UHFFFAOYSA-N
XLogP4.33
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926236
N-(2,3-dimethylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926175
N-(2-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912314
N-(2-bromo-4-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926238
N-(4-chloro-2-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926194
6-methyl-2-(3-methylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112926182
N-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112918204
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112920951
N-(5-chloro-2-methoxyphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926199
N-(3-chloro-4-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926195
N-(2-ethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
CID 112923703
N-(4-chloro-2,5-dimethoxyphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926257

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(2-ethylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine (CID 112926176) is N-(2-ethylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(2-ethylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(2-ethylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine is CCc1ccccc1Nc1cc(C)nc(N2CCCC(C)C2)n1.
What is the InChIKey of N-(2-ethylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is AYNPIOHLYKXZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-4-16-9-5-6-10-17(16)21-18-12-15(3)20-19(22-18)23-11-7-8-14(2)13-23/h5-6,9-10,12,14H,4,7-8,11,13H2,1-3H3,(H,20,21,22).
What are the key properties of N-(2-ethylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
N-(2-ethylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 310.44 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112926176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).