4-N-(2,5-dimethylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine

C17H23N5 — CID 22546979

IUPAC4-N-(2,5-dimethylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine
SMILESCc1ccc(C)c(Nc2ncnc(N3CCCCC3)c2N)c1
InChIInChI=1S/C17H23N5/c1-12-6-7-13(2)14(10-12)21-16-15(18)17(20-11-19-16)22-8-4-3-5-9-22/h6-7,10-11H,3-5,8-9,18H2,1-2H3,(H,19,20,21)
InChIKeyJQSHQHMYSCNAPD-UHFFFAOYSA-N
MW297.41 g/mol
LogP3.41
Rot. Bonds3

About 4-N-(2,5-dimethylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine

4-N-(2,5-dimethylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine (PubChem CID 22546979) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 4-N-(2,5-dimethylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(2,5-dimethylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine
PubChem CID22546979
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name4-N-(2,5-dimethylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine
SMILESCc1ccc(C)c(Nc2ncnc(N3CCCCC3)c2N)c1
InChIInChI=1S/C17H23N5/c1-12-6-7-13(2)14(10-12)21-16-15(18)17(20-11-19-16)22-8-4-3-5-9-22/h6-7,10-11H,3-5,8-9,18H2,1-2H3,(H,19,20,21)
InChIKeyJQSHQHMYSCNAPD-UHFFFAOYSA-N
XLogP3.41
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2,5-dimethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 22546983
4-N-(3-methylphenyl)-6-pyrrolidin-1-ylpyrimidine-4,5-diamine
CID 19137318
4-N-(2,4-dimethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 19140271
6-N-(2,4-dimethylphenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547014
4-N-(2,5-dimethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine
CID 22547055
6-N-(2,3-dichlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547040
6-(azepan-1-yl)-4-N-(2-ethylphenyl)pyrimidine-4,5-diamine
CID 22544049
6-N-(2-chlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547049
2-[4-[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 19140604
4-N-(2,5-dichlorophenyl)-6-pyrrolidin-1-ylpyrimidine-4,5-diamine
CID 19137305
6-(azepan-1-yl)-4-N-(5-chloro-2,4-dimethoxyphenyl)pyrimidine-4,5-diamine
CID 19137931
4-N-(5-chloro-2-methylphenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4,5-diamine
CID 22547247

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-dimethylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-(2,5-dimethylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine (CID 22546979) is 4-N-(2,5-dimethylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(2,5-dimethylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(2,5-dimethylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine is Cc1ccc(C)c(Nc2ncnc(N3CCCCC3)c2N)c1.
What is the InChIKey of 4-N-(2,5-dimethylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine?
The InChIKey is JQSHQHMYSCNAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-12-6-7-13(2)14(10-12)21-16-15(18)17(20-11-19-16)22-8-4-3-5-9-22/h6-7,10-11H,3-5,8-9,18H2,1-2H3,(H,19,20,21).
What are the key properties of 4-N-(2,5-dimethylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine?
4-N-(2,5-dimethylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine has a molecular weight of 297.41 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-dimethylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 22546979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).