N-ethyl-N-(3-methylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine

C19H26N4 — CID 112901156

IUPACN-ethyl-N-(3-methylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCCN(c1cccc(C)c1)c1ccnc(N2CCCC(C)C2)n1
InChIInChI=1S/C19H26N4/c1-4-23(17-9-5-7-15(2)13-17)18-10-11-20-19(21-18)22-12-6-8-16(3)14-22/h5,7,9-11,13,16H,4,6,8,12,14H2,1-3H3
InChIKeyGSXYEWGJALYCMU-UHFFFAOYSA-N
MW310.45 g/mol
LogP4.18
Rot. Bonds4

About N-ethyl-N-(3-methylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine

N-ethyl-N-(3-methylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 112901156) has the molecular formula C19H26N4 and a molecular weight of 310.45 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID112901156
Molecular FormulaC19H26N4
Molecular Weight310.45 g/mol
Exact Mass310.22
IUPAC NameN-ethyl-N-(3-methylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCCN(c1cccc(C)c1)c1ccnc(N2CCCC(C)C2)n1
InChIInChI=1S/C19H26N4/c1-4-23(17-9-5-7-15(2)13-17)18-10-11-20-19(21-18)22-12-6-8-16(3)14-22/h5,7,9-11,13,16H,4,6,8,12,14H2,1-3H3
InChIKeyGSXYEWGJALYCMU-UHFFFAOYSA-N
XLogP4.18
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-(3-methylpiperidin-1-yl)pyrimidine
CID 89079553
N-ethyl-2-methyl-N-(3-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112869319
N-ethyl-2-(4-methylpiperazin-1-yl)-N-phenylpyrimidin-4-amine
CID 112888148
[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299311
N-ethyl-N-(3-methylphenyl)-5-(3-methylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109288895
2-(3-methylpiperidin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine
CID 112885128
methanol;2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 156802158
2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 116796498
N-butan-2-yl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112883550
N-ethyl-2-(2-ethylpiperidin-1-yl)-N-phenylpyrimidin-4-amine
CID 112900941
N-ethyl-6-methyl-N-(3-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112922293
2-N-(2,5-dimethylphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112902549

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine (CID 112901156) is N-ethyl-N-(3-methylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine is CCN(c1cccc(C)c1)c1ccnc(N2CCCC(C)C2)n1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is GSXYEWGJALYCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-4-23(17-9-5-7-15(2)13-17)18-10-11-20-19(21-18)22-12-6-8-16(3)14-22/h5,7,9-11,13,16H,4,6,8,12,14H2,1-3H3.
What are the key properties of N-ethyl-N-(3-methylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
N-ethyl-N-(3-methylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 310.45 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112901156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).