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

C15H18BrN5 — CID 19137506

IUPAC4-N-(4-bromophenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine
SMILESNc1c(Nc2ccc(Br)cc2)ncnc1N1CCCCC1
InChIInChI=1S/C15H18BrN5/c16-11-4-6-12(7-5-11)20-14-13(17)15(19-10-18-14)21-8-2-1-3-9-21/h4-7,10H,1-3,8-9,17H2,(H,18,19,20)
InChIKeyYMZLQPNSDWRHLK-UHFFFAOYSA-N
MW348.25 g/mol
LogP3.56
Rot. Bonds3

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

4-N-(4-bromophenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine (PubChem CID 19137506) has the molecular formula C15H18BrN5 and a molecular weight of 348.25 g/mol. Its IUPAC name is 4-N-(4-bromophenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(4-bromophenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine
PubChem CID19137506
Molecular FormulaC15H18BrN5
Molecular Weight348.25 g/mol
Exact Mass347.07
IUPAC Name4-N-(4-bromophenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine
SMILESNc1c(Nc2ccc(Br)cc2)ncnc1N1CCCCC1
InChIInChI=1S/C15H18BrN5/c16-11-4-6-12(7-5-11)20-14-13(17)15(19-10-18-14)21-8-2-1-3-9-21/h4-7,10H,1-3,8-9,17H2,(H,18,19,20)
InChIKeyYMZLQPNSDWRHLK-UHFFFAOYSA-N
XLogP3.56
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.25
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(azepan-1-yl)-4-N-(4-bromophenyl)pyrimidine-4,5-diamine
CID 19137871
6-(azepan-1-yl)-4-N-(4-iodophenyl)pyrimidine-4,5-diamine
CID 19137872
6-piperidin-1-yl-4-N-pyridin-4-ylpyrimidine-4,5-diamine
CID 22543393
4-N-(4-ethylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine
CID 22544263
6-(azepan-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
CID 19137874
6-(azepan-1-yl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5-diamine
CID 22547783
6-(azepan-1-yl)-4-N-(4-butoxyphenyl)pyrimidine-4,5-diamine
CID 19137826
4-N-(3-methylphenyl)-6-pyrrolidin-1-ylpyrimidine-4,5-diamine
CID 19137318
4-hydrazinyl-6-pyrrolidin-1-ylpyrimidin-5-amine
CID 19137338
4-N-(4-bromophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19148779
4-(4-bromophenoxy)-6-piperidin-1-ylpyrimidin-5-amine
CID 19137603
4-N-(2,5-dimethylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine
CID 22546979

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromophenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-(4-bromophenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine (CID 19137506) is 4-N-(4-bromophenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(4-bromophenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(4-bromophenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine is Nc1c(Nc2ccc(Br)cc2)ncnc1N1CCCCC1.
What is the InChIKey of 4-N-(4-bromophenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine?
The InChIKey is YMZLQPNSDWRHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN5/c16-11-4-6-12(7-5-11)20-14-13(17)15(19-10-18-14)21-8-2-1-3-9-21/h4-7,10H,1-3,8-9,17H2,(H,18,19,20).
What are the key properties of 4-N-(4-bromophenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine?
4-N-(4-bromophenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine has a molecular weight of 348.25 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromophenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 19137506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).