N-ethyl-2-(2-ethylpiperidin-1-yl)-N-phenylpyrimidin-4-amine

C19H26N4 — CID 112900941

IUPACN-ethyl-2-(2-ethylpiperidin-1-yl)-N-phenylpyrimidin-4-amine
SMILESCCC1CCCCN1c1nccc(N(CC)c2ccccc2)n1
InChIInChI=1S/C19H26N4/c1-3-16-10-8-9-15-23(16)19-20-14-13-18(21-19)22(4-2)17-11-6-5-7-12-17/h5-7,11-14,16H,3-4,8-10,15H2,1-2H3
InChIKeyLPPWTFPVFIIYGS-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.40
Rot. Bonds5

About N-ethyl-2-(2-ethylpiperidin-1-yl)-N-phenylpyrimidin-4-amine

N-ethyl-2-(2-ethylpiperidin-1-yl)-N-phenylpyrimidin-4-amine (PubChem CID 112900941) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-ethyl-2-(2-ethylpiperidin-1-yl)-N-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-ethylpiperidin-1-yl)-N-phenylpyrimidin-4-amine
PubChem CID112900941
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC NameN-ethyl-2-(2-ethylpiperidin-1-yl)-N-phenylpyrimidin-4-amine
SMILESCCC1CCCCN1c1nccc(N(CC)c2ccccc2)n1
InChIInChI=1S/C19H26N4/c1-3-16-10-8-9-15-23(16)19-20-14-13-18(21-19)22(4-2)17-11-6-5-7-12-17/h5-7,11-14,16H,3-4,8-10,15H2,1-2H3
InChIKeyLPPWTFPVFIIYGS-UHFFFAOYSA-N
XLogP4.40
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-(2-ethylpiperidin-1-yl)-N-phenylpyrimidin-2-amine
CID 112900846
N-benzyl-2-(2-ethylpiperidin-1-yl)-N-methylpyrimidin-4-amine
CID 112890842
N-ethyl-2-(4-methylpiperazin-1-yl)-N-phenylpyrimidin-4-amine
CID 112888148
2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxylic acid
CID 107553615
[2-(2-ethylazepan-1-yl)pyrimidin-4-yl]methanamine
CID 107542232
1-[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole
CID 112900939
2-[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112894230
2-(2-ethylpiperidin-1-yl)-4-(3-methylpiperidin-1-yl)pyrimidine
CID 112900933
2-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine
CID 116796494
2-(2-ethylpiperidin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-4-amine
CID 112900973
N-ethyl-N-phenyl-2,6-dipyrrolidin-1-ylpyrimidin-4-amine
CID 173080172
[1-[4-(dimethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 155975322

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-ethylpiperidin-1-yl)-N-phenylpyrimidin-4-amine?
The IUPAC name of N-ethyl-2-(2-ethylpiperidin-1-yl)-N-phenylpyrimidin-4-amine (CID 112900941) is N-ethyl-2-(2-ethylpiperidin-1-yl)-N-phenylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-(2-ethylpiperidin-1-yl)-N-phenylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-(2-ethylpiperidin-1-yl)-N-phenylpyrimidin-4-amine is CCC1CCCCN1c1nccc(N(CC)c2ccccc2)n1.
What is the InChIKey of N-ethyl-2-(2-ethylpiperidin-1-yl)-N-phenylpyrimidin-4-amine?
The InChIKey is LPPWTFPVFIIYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-3-16-10-8-9-15-23(16)19-20-14-13-18(21-19)22(4-2)17-11-6-5-7-12-17/h5-7,11-14,16H,3-4,8-10,15H2,1-2H3.
What are the key properties of N-ethyl-2-(2-ethylpiperidin-1-yl)-N-phenylpyrimidin-4-amine?
N-ethyl-2-(2-ethylpiperidin-1-yl)-N-phenylpyrimidin-4-amine has a molecular weight of 310.44 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-ethylpiperidin-1-yl)-N-phenylpyrimidin-4-amine is sourced from PubChem (CID 112900941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).