2-N-(4-bromophenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine

C17H13BrN6 — CID 20604321

IUPAC2-N-(4-bromophenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
SMILESBrc1ccc(Nc2nc(Nc3ccn[nH]3)c3ccccc3n2)cc1
InChIInChI=1S/C17H13BrN6/c18-11-5-7-12(8-6-11)20-17-21-14-4-2-1-3-13(14)16(23-17)22-15-9-10-19-24-15/h1-10H,(H3,19,20,21,22,23,24)
InChIKeyHSPJGCIQAFATIN-UHFFFAOYSA-N
MW381.24 g/mol
LogP4.60
Rot. Bonds4

About 2-N-(4-bromophenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine

2-N-(4-bromophenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine (PubChem CID 20604321) has the molecular formula C17H13BrN6 and a molecular weight of 381.24 g/mol. Its IUPAC name is 2-N-(4-bromophenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-bromophenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
PubChem CID20604321
Molecular FormulaC17H13BrN6
Molecular Weight381.24 g/mol
Exact Mass380.04
IUPAC Name2-N-(4-bromophenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
SMILESBrc1ccc(Nc2nc(Nc3ccn[nH]3)c3ccccc3n2)cc1
InChIInChI=1S/C17H13BrN6/c18-11-5-7-12(8-6-11)20-17-21-14-4-2-1-3-13(14)16(23-17)22-15-9-10-19-24-15/h1-10H,(H3,19,20,21,22,23,24)
InChIKeyHSPJGCIQAFATIN-UHFFFAOYSA-N
XLogP4.60
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.24
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromophenyl)-1H-pyrazolo[3,4-g]quinazolin-8-amine
CID 5328241
N-(3-bromophenyl)-1H-pyrazolo[4,3-g]quinazolin-5-amine
CID 5328242
N-(3-bromophenyl)-1-methyl-1H-pyrazolo[4,3-g]quinazolin-5-amine
CID 5328280
N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
CID 6419766
3-bromo-5-phenyl-N-(pyrimidin-5-ylmethyl)pyrazolo(1,5-a)pyridin-7-amine
CID 10317619
2-N-benzyl-5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 24949247
(5Z)-5-(3-Bromocyclohexa-2,5-dien-1-ylidene)-N-(pyridin-4-ylmethyl)-1,5-dihydro[1,2,4]triazolo[1,5-A]pyrimidin-7-amine
CID 5327131
N-[2-phenyl-4-(1H-pyrazol-5-ylamino)quinazolin-7-yl]propanamide
CID 44820629
N-[2-Phenyl-4-(1h-Pyrazol-3-Ylamino)quinazolin-7-Yl]prop-2-Enamide
CID 49867019
N-(4-bromophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 932209
2-phenyl-N-(1H-pyrazol-5-yl)quinazolin-4-amine
CID 9814443
N2-methyl-N4-(5-methyl-1H-pyrazol-3-yl)-N2-phenylquinazoline-2,4-diamine
CID 9858715

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-bromophenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-(4-bromophenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine (CID 20604321) is 2-N-(4-bromophenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(4-bromophenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-(4-bromophenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine is Brc1ccc(Nc2nc(Nc3ccn[nH]3)c3ccccc3n2)cc1.
What is the InChIKey of 2-N-(4-bromophenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
The InChIKey is HSPJGCIQAFATIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN6/c18-11-5-7-12(8-6-11)20-17-21-14-4-2-1-3-13(14)16(23-17)22-15-9-10-19-24-15/h1-10H,(H3,19,20,21,22,23,24).
What are the key properties of 2-N-(4-bromophenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
2-N-(4-bromophenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine has a molecular weight of 381.24 g/mol, XLogP of 4.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-bromophenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 20604321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).