4-N-(4-ethylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine

C17H23N5 — CID 22544263

IUPAC4-N-(4-ethylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine
SMILESCCc1ccc(Nc2ncnc(N3CCCCC3)c2N)cc1
InChIInChI=1S/C17H23N5/c1-2-13-6-8-14(9-7-13)21-16-15(18)17(20-12-19-16)22-10-4-3-5-11-22/h6-9,12H,2-5,10-11,18H2,1H3,(H,19,20,21)
InChIKeyAZUINUQPXFJFOB-UHFFFAOYSA-N
MW297.41 g/mol
LogP3.36
Rot. Bonds4

About 4-N-(4-ethylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine

4-N-(4-ethylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine (PubChem CID 22544263) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 4-N-(4-ethylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(4-ethylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine
PubChem CID22544263
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name4-N-(4-ethylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine
SMILESCCc1ccc(Nc2ncnc(N3CCCCC3)c2N)cc1
InChIInChI=1S/C17H23N5/c1-2-13-6-8-14(9-7-13)21-16-15(18)17(20-12-19-16)22-10-4-3-5-11-22/h6-9,12H,2-5,10-11,18H2,1H3,(H,19,20,21)
InChIKeyAZUINUQPXFJFOB-UHFFFAOYSA-N
XLogP3.36
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(azepan-1-yl)-4-N-(4-butoxyphenyl)pyrimidine-4,5-diamine
CID 19137826
6-(azepan-1-yl)-4-N-(4-iodophenyl)pyrimidine-4,5-diamine
CID 19137872
6-(azepan-1-yl)-4-N-(4-bromophenyl)pyrimidine-4,5-diamine
CID 19137871
4-N-(4-bromophenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine
CID 19137506
6-(azepan-1-yl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5-diamine
CID 22547783
6-(azepan-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
CID 19137874
6-piperidin-1-yl-4-N-pyridin-4-ylpyrimidine-4,5-diamine
CID 22543393
6-(4-benzylpiperidin-1-yl)-4-N-(4-ethylphenyl)pyrimidine-4,5-diamine
CID 22544274
6-(azepan-1-yl)-4-N-(2-ethylphenyl)pyrimidine-4,5-diamine
CID 22544049
4-N-(4-ethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine
CID 22544339
4-N-(3-methylphenyl)-6-pyrrolidin-1-ylpyrimidine-4,5-diamine
CID 19137318
dimethyl 5-[[5-amino-6-(azepan-1-yl)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 22547584

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-ethylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-(4-ethylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine (CID 22544263) is 4-N-(4-ethylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(4-ethylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(4-ethylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine is CCc1ccc(Nc2ncnc(N3CCCCC3)c2N)cc1.
What is the InChIKey of 4-N-(4-ethylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine?
The InChIKey is AZUINUQPXFJFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-2-13-6-8-14(9-7-13)21-16-15(18)17(20-12-19-16)22-10-4-3-5-11-22/h6-9,12H,2-5,10-11,18H2,1H3,(H,19,20,21).
What are the key properties of 4-N-(4-ethylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine?
4-N-(4-ethylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine has a molecular weight of 297.41 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-ethylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 22544263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).