5-bromo-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-diamine

C13H16BrN7 — CID 68899926

IUPAC5-bromo-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-diamine
SMILESNc1nc(Nc2ccc(N3CCNCC3)cn2)ncc1Br
InChIInChI=1S/C13H16BrN7/c14-10-8-18-13(20-12(10)15)19-11-2-1-9(7-17-11)21-5-3-16-4-6-21/h1-2,7-8,16H,3-6H2,(H3,15,17,18,19,20)
InChIKeyZQFQKHKYSJJKEB-UHFFFAOYSA-N
MW350.22 g/mol
LogP1.37
Rot. Bonds3

About 5-bromo-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-diamine

5-bromo-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-diamine (PubChem CID 68899926) has the molecular formula C13H16BrN7 and a molecular weight of 350.22 g/mol. Its IUPAC name is 5-bromo-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-diamine
PubChem CID68899926
Molecular FormulaC13H16BrN7
Molecular Weight350.22 g/mol
Exact Mass349.07
IUPAC Name5-bromo-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-diamine
SMILESNc1nc(Nc2ccc(N3CCNCC3)cn2)ncc1Br
InChIInChI=1S/C13H16BrN7/c14-10-8-18-13(20-12(10)15)19-11-2-1-9(7-17-11)21-5-3-16-4-6-21/h1-2,7-8,16H,3-6H2,(H3,15,17,18,19,20)
InChIKeyZQFQKHKYSJJKEB-UHFFFAOYSA-N
XLogP1.37
TPSA91.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbonitrile
CID 10063148
5-[2-(4-fluorophenyl)ethyl]-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-diamine
CID 10363176
4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbaldehyde
CID 10067549
[4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]methanol
CID 10248532
6-acetyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-6H-pyrido[2,3-d]pyrimidin-7-one
CID 138059460
5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-quinolin-3-ylpyrimidin-2-amine
CID 172786362
7-pentan-3-yl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 58015776
4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-amine
CID 154939051
8-cyclohexyl-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58299868
5-fluoro-4-(8-fluoro-1-methyl-4-propan-2-yl-2,3-dihydroquinoxalin-6-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine
CID 166121076
1-[8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-7H-pyrido[2,3-d]pyrimidin-6-yl]ethanone
CID 130378536
5-methyl-4-N-(1-methylcyclopropyl)-2-N-(5-piperazin-1-yl-2-pyridinyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 168953846

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-diamine (CID 68899926) is 5-bromo-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-diamine is Nc1nc(Nc2ccc(N3CCNCC3)cn2)ncc1Br.
What is the InChIKey of 5-bromo-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-diamine?
The InChIKey is ZQFQKHKYSJJKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN7/c14-10-8-18-13(20-12(10)15)19-11-2-1-9(7-17-11)21-5-3-16-4-6-21/h1-2,7-8,16H,3-6H2,(H3,15,17,18,19,20).
What are the key properties of 5-bromo-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-diamine?
5-bromo-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-diamine has a molecular weight of 350.22 g/mol, XLogP of 1.37, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 68899926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).