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

C19H26N4 — CID 112926067

IUPACN-(4-ethylphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCCc1ccc(Nc2nc(C)cc(N3CCCC(C)C3)n2)cc1
InChIInChI=1S/C19H26N4/c1-4-16-7-9-17(10-8-16)21-19-20-15(3)12-18(22-19)23-11-5-6-14(2)13-23/h7-10,12,14H,4-6,11,13H2,1-3H3,(H,20,21,22)
InChIKeyGVLFFCSRGACNBB-UHFFFAOYSA-N
MW310.45 g/mol
LogP4.33
Rot. Bonds4

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

N-(4-ethylphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine (PubChem CID 112926067) has the molecular formula C19H26N4 and a molecular weight of 310.45 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
PubChem CID112926067
Molecular FormulaC19H26N4
Molecular Weight310.45 g/mol
Exact Mass310.22
IUPAC NameN-(4-ethylphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCCc1ccc(Nc2nc(C)cc(N3CCCC(C)C3)n2)cc1
InChIInChI=1S/C19H26N4/c1-4-16-7-9-17(10-8-16)21-19-20-15(3)12-18(22-19)23-11-5-6-14(2)13-23/h7-10,12,14H,4-6,11,13H2,1-3H3,(H,20,21,22)
InChIKeyGVLFFCSRGACNBB-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 ≤ 500310.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-6-(3-methylpiperidin-1-yl)-N-phenylpyrimidin-2-amine
CID 112926053
N-(1,3-benzodioxol-5-yl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112926130
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112926131
4-methyl-N-[(4-methylphenyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112916523
N-[3-[[4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112926107
N-tert-butyl-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112924754
ethyl 2-[[4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-yl]amino]benzoate
CID 112926149
N-(4-bromo-2-methylphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112926128
N-(5-chloro-2-methylphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112926082
N-(2-methoxyphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112926091
4-(3-methylpiperidin-1-yl)-N,6-diphenylpyrimidin-2-amine
CID 112938025
2-N-(4-ethylphenyl)-6-methyl-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112928742

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-(4-ethylphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine (CID 112926067) is N-(4-ethylphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(4-ethylphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-(4-ethylphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine is CCc1ccc(Nc2nc(C)cc(N3CCCC(C)C3)n2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine?
The InChIKey is GVLFFCSRGACNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-4-16-7-9-17(10-8-16)21-19-20-15(3)12-18(22-19)23-11-5-6-14(2)13-23/h7-10,12,14H,4-6,11,13H2,1-3H3,(H,20,21,22).
What are the key properties of N-(4-ethylphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine?
N-(4-ethylphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine has a molecular weight of 310.45 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-(4-ethylphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112926067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).