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

C19H26N4 — CID 112900846

IUPACN-ethyl-4-(2-ethylpiperidin-1-yl)-N-phenylpyrimidin-2-amine
SMILESCCC1CCCCN1c1ccnc(N(CC)c2ccccc2)n1
InChIInChI=1S/C19H26N4/c1-3-16-10-8-9-15-23(16)18-13-14-20-19(21-18)22(4-2)17-11-6-5-7-12-17/h5-7,11-14,16H,3-4,8-10,15H2,1-2H3
InChIKeyDVYQMZOIDUMYNJ-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.40
Rot. Bonds5

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

N-ethyl-4-(2-ethylpiperidin-1-yl)-N-phenylpyrimidin-2-amine (PubChem CID 112900846) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-ethyl-4-(2-ethylpiperidin-1-yl)-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-ethylpiperidin-1-yl)-N-phenylpyrimidin-2-amine
PubChem CID112900846
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC NameN-ethyl-4-(2-ethylpiperidin-1-yl)-N-phenylpyrimidin-2-amine
SMILESCCC1CCCCN1c1ccnc(N(CC)c2ccccc2)n1
InChIInChI=1S/C19H26N4/c1-3-16-10-8-9-15-23(16)18-13-14-20-19(21-18)22(4-2)17-11-6-5-7-12-17/h5-7,11-14,16H,3-4,8-10,15H2,1-2H3
InChIKeyDVYQMZOIDUMYNJ-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-2-(2-ethylpiperidin-1-yl)-N-phenylpyrimidin-4-amine
CID 112900941
N-(1,1-dioxothiolan-3-yl)-4-(2-ethylpiperidin-1-yl)-N-methylpyrimidin-2-amine
CID 112896184
N-benzyl-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine
CID 112889620
N-ethyl-4-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine
CID 112903002
4-(2-ethylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112893334
N-ethyl-6-(2-ethylpiperidin-1-yl)-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 112847159
4-[2-(aminomethyl)piperidin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 64830681
4-(4-benzylpiperazin-1-yl)-N-ethyl-N-phenylpyrimidin-2-amine
CID 112896283
N-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 112887183
2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxylic acid
CID 107553615
4-N,4-N-diethyl-1-N-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]-2-methylbenzene-1,4-diamine
CID 112900923
2-(2-ethylpiperidin-1-yl)quinoline-4-carboxylic acid
CID 43266682

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-ethylpiperidin-1-yl)-N-phenylpyrimidin-2-amine?
The IUPAC name of N-ethyl-4-(2-ethylpiperidin-1-yl)-N-phenylpyrimidin-2-amine (CID 112900846) is N-ethyl-4-(2-ethylpiperidin-1-yl)-N-phenylpyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-(2-ethylpiperidin-1-yl)-N-phenylpyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-(2-ethylpiperidin-1-yl)-N-phenylpyrimidin-2-amine is CCC1CCCCN1c1ccnc(N(CC)c2ccccc2)n1.
What is the InChIKey of N-ethyl-4-(2-ethylpiperidin-1-yl)-N-phenylpyrimidin-2-amine?
The InChIKey is DVYQMZOIDUMYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-3-16-10-8-9-15-23(16)18-13-14-20-19(21-18)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-4-(2-ethylpiperidin-1-yl)-N-phenylpyrimidin-2-amine?
N-ethyl-4-(2-ethylpiperidin-1-yl)-N-phenylpyrimidin-2-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-4-(2-ethylpiperidin-1-yl)-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 112900846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).