4-(3,4-dimethylphenoxy)-6-(2-ethylpiperidin-1-yl)pyrimidin-5-amine

C19H26N4O — CID 19140572

IUPAC4-(3,4-dimethylphenoxy)-6-(2-ethylpiperidin-1-yl)pyrimidin-5-amine
SMILESCCC1CCCCN1c1ncnc(Oc2ccc(C)c(C)c2)c1N
InChIInChI=1S/C19H26N4O/c1-4-15-7-5-6-10-23(15)18-17(20)19(22-12-21-18)24-16-9-8-13(2)14(3)11-16/h8-9,11-12,15H,4-7,10,20H2,1-3H3
InChIKeyVTZYPNRADOPIAV-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.24
Rot. Bonds4

About 4-(3,4-dimethylphenoxy)-6-(2-ethylpiperidin-1-yl)pyrimidin-5-amine

4-(3,4-dimethylphenoxy)-6-(2-ethylpiperidin-1-yl)pyrimidin-5-amine (PubChem CID 19140572) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-(3,4-dimethylphenoxy)-6-(2-ethylpiperidin-1-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(3,4-dimethylphenoxy)-6-(2-ethylpiperidin-1-yl)pyrimidin-5-amine
PubChem CID19140572
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name4-(3,4-dimethylphenoxy)-6-(2-ethylpiperidin-1-yl)pyrimidin-5-amine
SMILESCCC1CCCCN1c1ncnc(Oc2ccc(C)c(C)c2)c1N
InChIInChI=1S/C19H26N4O/c1-4-15-7-5-6-10-23(15)18-17(20)19(22-12-21-18)24-16-9-8-13(2)14(3)11-16/h8-9,11-12,15H,4-7,10,20H2,1-3H3
InChIKeyVTZYPNRADOPIAV-UHFFFAOYSA-N
XLogP4.24
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-ethylpiperidin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine
CID 19140576
4-N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 22546179
6-(2-ethylpiperidin-1-yl)-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine
CID 19140566
4-(2,3-dihydroindol-1-yl)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine
CID 22543342
6-(2-ethylpiperidin-1-yl)-4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5-diamine
CID 19140543
4-N,4-N-diethyl-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 19136715
4-(2-ethylpiperidin-1-yl)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
CID 19140492
4-(4-benzylpiperazin-1-yl)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine
CID 19139382
4-(2-ethylpiperidin-1-yl)-6-(2-phenylhydrazinyl)pyrimidin-5-amine
CID 19140445
[1-(5-amino-6-propan-2-yloxypyrimidin-4-yl)azepan-2-yl]methanol
CID 116634054
4-(4-chloro-3-methylphenoxy)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine
CID 19140371
4-(2-ethylpiperidin-1-yl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
CID 19140549

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenoxy)-6-(2-ethylpiperidin-1-yl)pyrimidin-5-amine?
The IUPAC name of 4-(3,4-dimethylphenoxy)-6-(2-ethylpiperidin-1-yl)pyrimidin-5-amine (CID 19140572) is 4-(3,4-dimethylphenoxy)-6-(2-ethylpiperidin-1-yl)pyrimidin-5-amine.
What is the SMILES notation for 4-(3,4-dimethylphenoxy)-6-(2-ethylpiperidin-1-yl)pyrimidin-5-amine?
The canonical SMILES for 4-(3,4-dimethylphenoxy)-6-(2-ethylpiperidin-1-yl)pyrimidin-5-amine is CCC1CCCCN1c1ncnc(Oc2ccc(C)c(C)c2)c1N.
What is the InChIKey of 4-(3,4-dimethylphenoxy)-6-(2-ethylpiperidin-1-yl)pyrimidin-5-amine?
The InChIKey is VTZYPNRADOPIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-4-15-7-5-6-10-23(15)18-17(20)19(22-12-21-18)24-16-9-8-13(2)14(3)11-16/h8-9,11-12,15H,4-7,10,20H2,1-3H3.
What are the key properties of 4-(3,4-dimethylphenoxy)-6-(2-ethylpiperidin-1-yl)pyrimidin-5-amine?
4-(3,4-dimethylphenoxy)-6-(2-ethylpiperidin-1-yl)pyrimidin-5-amine has a molecular weight of 326.44 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenoxy)-6-(2-ethylpiperidin-1-yl)pyrimidin-5-amine is sourced from PubChem (CID 19140572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).