6-bromo-2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine

C9H11BrN6 — CID 116795802

IUPAC6-bromo-2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
SMILESNc1cc(Br)nc(NCCn2cccn2)n1
InChIInChI=1S/C9H11BrN6/c10-7-6-8(11)15-9(14-7)12-3-5-16-4-1-2-13-16/h1-2,4,6H,3,5H2,(H3,11,12,14,15)
InChIKeyNHPHHTPCBTWHOA-UHFFFAOYSA-N
MW283.13 g/mol
LogP1.13
Rot. Bonds4

About 6-bromo-2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine

6-bromo-2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine (PubChem CID 116795802) has the molecular formula C9H11BrN6 and a molecular weight of 283.13 g/mol. Its IUPAC name is 6-bromo-2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-bromo-2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
PubChem CID116795802
Molecular FormulaC9H11BrN6
Molecular Weight283.13 g/mol
Exact Mass282.02
IUPAC Name6-bromo-2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
SMILESNc1cc(Br)nc(NCCn2cccn2)n1
InChIInChI=1S/C9H11BrN6/c10-7-6-8(11)15-9(14-7)12-3-5-16-4-1-2-13-16/h1-2,4,6H,3,5H2,(H3,11,12,14,15)
InChIKeyNHPHHTPCBTWHOA-UHFFFAOYSA-N
XLogP1.13
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 115978219
2-methylsulfanyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine
CID 80808551
6-methyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 112732592
4-hydrazinyl-6-methoxy-N-(2-pyrazol-1-ylethyl)-1,3,5-triazin-2-amine
CID 80896292
6-hydrazinyl-4-N,4-N-dimethyl-2-N-(2-pyrazol-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80896522
4-[(4-amino-6-bromopyrimidin-2-yl)amino]butan-2-ol
CID 116796030
6-bromo-2-N-(3-butoxypropyl)pyrimidine-2,4-diamine
CID 116797411
3,5-dichloro-6-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
CID 102756813
N-(2-pyrazol-1-ylethyl)pyridin-4-amine
CID 61462969
N-(2-pyrazol-1-ylethyl)-2H-tetrazol-5-amine
CID 164660933
2-N,4-N-bis(2-pyrazol-1-ylethyl)quinazoline-2,4-diamine
CID 133280943
5-fluoro-3-N-(2-pyrazol-1-ylethyl)benzene-1,3-diamine
CID 61459841

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-bromo-2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine (CID 116795802) is 6-bromo-2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-bromo-2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-bromo-2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine is Nc1cc(Br)nc(NCCn2cccn2)n1.
What is the InChIKey of 6-bromo-2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is NHPHHTPCBTWHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN6/c10-7-6-8(11)15-9(14-7)12-3-5-16-4-1-2-13-16/h1-2,4,6H,3,5H2,(H3,11,12,14,15).
What are the key properties of 6-bromo-2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine?
6-bromo-2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 283.13 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 116795802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).