6-(2-ethylpiperidin-1-yl)-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine

C23H27N5O — CID 19140566

IUPAC6-(2-ethylpiperidin-1-yl)-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine
SMILESCCC1CCCCN1c1ncnc(Nc2ccc(Oc3ccccc3)cc2)c1N
InChIInChI=1S/C23H27N5O/c1-2-18-8-6-7-15-28(18)23-21(24)22(25-16-26-23)27-17-11-13-20(14-12-17)29-19-9-4-3-5-10-19/h3-5,9-14,16,18H,2,6-8,15,24H2,1H3,(H,25,26,27)
InChIKeyDQUAVGANQLUKHX-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.36
Rot. Bonds6

About 6-(2-ethylpiperidin-1-yl)-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine

6-(2-ethylpiperidin-1-yl)-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine (PubChem CID 19140566) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 6-(2-ethylpiperidin-1-yl)-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(2-ethylpiperidin-1-yl)-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine
PubChem CID19140566
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name6-(2-ethylpiperidin-1-yl)-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine
SMILESCCC1CCCCN1c1ncnc(Nc2ccc(Oc3ccccc3)cc2)c1N
InChIInChI=1S/C23H27N5O/c1-2-18-8-6-7-15-28(18)23-21(24)22(25-16-26-23)27-17-11-13-20(14-12-17)29-19-9-4-3-5-10-19/h3-5,9-14,16,18H,2,6-8,15,24H2,1H3,(H,25,26,27)
InChIKeyDQUAVGANQLUKHX-UHFFFAOYSA-N
XLogP5.36
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-ethylpiperidin-1-yl)-6-(2-phenylhydrazinyl)pyrimidin-5-amine
CID 19140445
4-N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 22546179
6-(2-ethylpiperidin-1-yl)-4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5-diamine
CID 19140543
4-N-butan-2-yl-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 19154145
6-(2-ethylpiperidin-1-yl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5-diamine
CID 19140470
4-(2-ethylpiperidin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine
CID 19140576
2-[4-[5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 19140732
4-(3,4-dimethylphenoxy)-6-(2-ethylpiperidin-1-yl)pyrimidin-5-amine
CID 19140572
4-N-(4-phenoxyphenyl)-6-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
CID 19134746
4-N,4-N-diethyl-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 19136861
6-(2-ethylpiperidin-1-yl)-4-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine
CID 19140494
6-(azepan-1-yl)-4-N-(4-butoxyphenyl)pyrimidine-4,5-diamine
CID 19137826

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylpiperidin-1-yl)-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(2-ethylpiperidin-1-yl)-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine (CID 19140566) is 6-(2-ethylpiperidin-1-yl)-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(2-ethylpiperidin-1-yl)-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(2-ethylpiperidin-1-yl)-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine is CCC1CCCCN1c1ncnc(Nc2ccc(Oc3ccccc3)cc2)c1N.
What is the InChIKey of 6-(2-ethylpiperidin-1-yl)-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine?
The InChIKey is DQUAVGANQLUKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-2-18-8-6-7-15-28(18)23-21(24)22(25-16-26-23)27-17-11-13-20(14-12-17)29-19-9-4-3-5-10-19/h3-5,9-14,16,18H,2,6-8,15,24H2,1H3,(H,25,26,27).
What are the key properties of 6-(2-ethylpiperidin-1-yl)-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine?
6-(2-ethylpiperidin-1-yl)-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine has a molecular weight of 389.50 g/mol, XLogP of 5.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylpiperidin-1-yl)-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19140566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).