6-bromo-N-(1-methylpyrazol-4-yl)quinazolin-2-amine

C12H10BrN5 — CID 155777536

IUPAC6-bromo-N-(1-methylpyrazol-4-yl)quinazolin-2-amine
SMILESCn1cc(Nc2ncc3cc(Br)ccc3n2)cn1
InChIInChI=1S/C12H10BrN5/c1-18-7-10(6-15-18)16-12-14-5-8-4-9(13)2-3-11(8)17-12/h2-7H,1H3,(H,14,16,17)
InChIKeyMITNBJVCTMGJMZ-UHFFFAOYSA-N
MW304.15 g/mol
LogP2.87
Rot. Bonds2

About 6-bromo-N-(1-methylpyrazol-4-yl)quinazolin-2-amine

6-bromo-N-(1-methylpyrazol-4-yl)quinazolin-2-amine (PubChem CID 155777536) has the molecular formula C12H10BrN5 and a molecular weight of 304.15 g/mol. Its IUPAC name is 6-bromo-N-(1-methylpyrazol-4-yl)quinazolin-2-amine.

Molecular Properties

Compound Name6-bromo-N-(1-methylpyrazol-4-yl)quinazolin-2-amine
PubChem CID155777536
Molecular FormulaC12H10BrN5
Molecular Weight304.15 g/mol
Exact Mass303.01
IUPAC Name6-bromo-N-(1-methylpyrazol-4-yl)quinazolin-2-amine
SMILESCn1cc(Nc2ncc3cc(Br)ccc3n2)cn1
InChIInChI=1S/C12H10BrN5/c1-18-7-10(6-15-18)16-12-14-5-8-4-9(13)2-3-11(8)17-12/h2-7H,1H3,(H,14,16,17)
InChIKeyMITNBJVCTMGJMZ-UHFFFAOYSA-N
XLogP2.87
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]acetic acid
CID 141216292
2-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenyl]acetic acid;2-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenyl]acetonitrile
CID 161496906
6-bromo-N-(3-chloro-4-fluorophenyl)quinazolin-2-amine;hydrochloride
CID 142637448
2-(4-bromoanilino)quinazolin-6-ol
CID 59254881
4-[(6-bromoquinazolin-2-yl)amino]-2-propan-2-ylbenzamide
CID 142782521
6-bromo-N-cyclopentylquinazolin-2-amine
CID 118048975
4-[(6-bromoquinazolin-2-yl)amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 24986332
2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde
CID 165142431
5-bromo-4-(2-fluoro-5-nitrophenoxy)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 163281533
5-methyl-N-(1-methylpyrazol-4-yl)-4-trimethylstannylpyrimidin-2-amine
CID 170573572
2-N-(1-methylpyrazol-4-yl)-1,3,5-triazine-2,4-diamine
CID 130532664
6-bromo-N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]quinazolin-2-amine
CID 59452130

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(1-methylpyrazol-4-yl)quinazolin-2-amine?
The IUPAC name of 6-bromo-N-(1-methylpyrazol-4-yl)quinazolin-2-amine (CID 155777536) is 6-bromo-N-(1-methylpyrazol-4-yl)quinazolin-2-amine.
What is the SMILES notation for 6-bromo-N-(1-methylpyrazol-4-yl)quinazolin-2-amine?
The canonical SMILES for 6-bromo-N-(1-methylpyrazol-4-yl)quinazolin-2-amine is Cn1cc(Nc2ncc3cc(Br)ccc3n2)cn1.
What is the InChIKey of 6-bromo-N-(1-methylpyrazol-4-yl)quinazolin-2-amine?
The InChIKey is MITNBJVCTMGJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN5/c1-18-7-10(6-15-18)16-12-14-5-8-4-9(13)2-3-11(8)17-12/h2-7H,1H3,(H,14,16,17).
What are the key properties of 6-bromo-N-(1-methylpyrazol-4-yl)quinazolin-2-amine?
6-bromo-N-(1-methylpyrazol-4-yl)quinazolin-2-amine has a molecular weight of 304.15 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1-methylpyrazol-4-yl)quinazolin-2-amine is sourced from PubChem (CID 155777536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).