N-(2,4-dimethylphenyl)-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine

C19H26N4 — CID 112900838

IUPACN-(2,4-dimethylphenyl)-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine
SMILESCCC1CCCCN1c1ccnc(Nc2ccc(C)cc2C)n1
InChIInChI=1S/C19H26N4/c1-4-16-7-5-6-12-23(16)18-10-11-20-19(22-18)21-17-9-8-14(2)13-15(17)3/h8-11,13,16H,4-7,12H2,1-3H3,(H,20,21,22)
InChIKeyNAIAHNCCNBHSJJ-UHFFFAOYSA-N
MW310.45 g/mol
LogP4.61
Rot. Bonds4

About N-(2,4-dimethylphenyl)-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine

N-(2,4-dimethylphenyl)-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine (PubChem CID 112900838) has the molecular formula C19H26N4 and a molecular weight of 310.45 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine
PubChem CID112900838
Molecular FormulaC19H26N4
Molecular Weight310.45 g/mol
Exact Mass310.22
IUPAC NameN-(2,4-dimethylphenyl)-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine
SMILESCCC1CCCCN1c1ccnc(Nc2ccc(C)cc2C)n1
InChIInChI=1S/C19H26N4/c1-4-16-7-5-6-12-23(16)18-10-11-20-19(22-18)21-17-9-8-14(2)13-15(17)3/h8-11,13,16H,4-7,12H2,1-3H3,(H,20,21,22)
InChIKeyNAIAHNCCNBHSJJ-UHFFFAOYSA-N
XLogP4.61
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 ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,4-N-diethyl-1-N-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]-2-methylbenzene-1,4-diamine
CID 112900923
N-(2,4-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine
CID 112925963
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine
CID 112900889
N-benzyl-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine
CID 112889620
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine
CID 112900912
N-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 112887183
5-(2-ethylpiperidin-1-yl)-N-(2-methoxy-5-methylphenyl)-1,2,4-triazin-3-amine
CID 112960414
4-(2-ethylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112893334
N-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112887792
ethyl 4-[2-(2,4-dimethylanilino)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112897903
N-(2,4-dichlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960459
4-(2-ethylazepan-1-yl)-N,6-dimethylpyrimidin-2-amine
CID 113442061

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-(2,4-dimethylphenyl)-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine (CID 112900838) is N-(2,4-dimethylphenyl)-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine is CCC1CCCCN1c1ccnc(Nc2ccc(C)cc2C)n1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine?
The InChIKey is NAIAHNCCNBHSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-4-16-7-5-6-12-23(16)18-10-11-20-19(22-18)21-17-9-8-14(2)13-15(17)3/h8-11,13,16H,4-7,12H2,1-3H3,(H,20,21,22).
What are the key properties of N-(2,4-dimethylphenyl)-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine?
N-(2,4-dimethylphenyl)-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine has a molecular weight of 310.45 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112900838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).