5-bromo-N-(1H-pyrazol-4-yl)pyrimidin-2-amine

C7H6BrN5 — CID 130622125

IUPAC5-bromo-N-(1H-pyrazol-4-yl)pyrimidin-2-amine
SMILESBrc1cnc(Nc2cn[nH]c2)nc1
InChIInChI=1S/C7H6BrN5/c8-5-1-9-7(10-2-5)13-6-3-11-12-4-6/h1-4H,(H,11,12)(H,9,10,13)
InChIKeyMWVZZABMUOJMPU-UHFFFAOYSA-N
MW240.06 g/mol
LogP1.71
Rot. Bonds2

About 5-bromo-N-(1H-pyrazol-4-yl)pyrimidin-2-amine

5-bromo-N-(1H-pyrazol-4-yl)pyrimidin-2-amine (PubChem CID 130622125) has the molecular formula C7H6BrN5 and a molecular weight of 240.06 g/mol. Its IUPAC name is 5-bromo-N-(1H-pyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(1H-pyrazol-4-yl)pyrimidin-2-amine
PubChem CID130622125
Molecular FormulaC7H6BrN5
Molecular Weight240.06 g/mol
Exact Mass238.98
IUPAC Name5-bromo-N-(1H-pyrazol-4-yl)pyrimidin-2-amine
SMILESBrc1cnc(Nc2cn[nH]c2)nc1
InChIInChI=1S/C7H6BrN5/c8-5-1-9-7(10-2-5)13-6-3-11-12-4-6/h1-4H,(H,11,12)(H,9,10,13)
InChIKeyMWVZZABMUOJMPU-UHFFFAOYSA-N
XLogP1.71
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.06
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 141431605
5-bromo-N-(3,5-dimethylphenyl)pyrimidin-2-amine
CID 63874390
5-bromo-N-[5-(methoxymethyl)-1H-pyrrol-3-yl]pyrimidin-2-amine
CID 141336621
5-bromo-N-(4-bromo-3,5-dimethoxyphenyl)pyrimidin-2-amine
CID 133435049
5-bromo-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;trihydrochloride
CID 67203539
N-fluoro-1H-pyrazol-4-amine
CID 145171249
5-[(5-bromopyrimidin-2-yl)amino]pyridine-2-carbonitrile
CID 134512316
4-[5-chloro-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]benzoic acid
CID 151311084
3-bromo-N-(1H-pyrazol-4-yl)quinolin-2-amine
CID 167892380
N-(5-bromopyrimidin-2-yl)-1-methylindazol-5-amine
CID 152552554
N-(4-methylsulfanylphenyl)-1H-pyrazol-4-amine
CID 125449145
N-(2-methylphenyl)-1H-pyrazol-4-amine
CID 125450527

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1H-pyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(1H-pyrazol-4-yl)pyrimidin-2-amine (CID 130622125) is 5-bromo-N-(1H-pyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(1H-pyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(1H-pyrazol-4-yl)pyrimidin-2-amine is Brc1cnc(Nc2cn[nH]c2)nc1.
What is the InChIKey of 5-bromo-N-(1H-pyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is MWVZZABMUOJMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN5/c8-5-1-9-7(10-2-5)13-6-3-11-12-4-6/h1-4H,(H,11,12)(H,9,10,13).
What are the key properties of 5-bromo-N-(1H-pyrazol-4-yl)pyrimidin-2-amine?
5-bromo-N-(1H-pyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 240.06 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1H-pyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 130622125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).