6-bromo-N,4-dimethylquinazolin-2-amine;N,4-dimethyl-6-pyrazol-1-ylquinazolin-2-amine;1H-pyrazole

C26H27BrN10 — CID 161258504

IUPAC6-bromo-N,4-dimethylquinazolin-2-amine;N,4-dimethyl-6-pyrazol-1-ylquinazolin-2-amine;1H-pyrazole
SMILESCNc1nc(C)c2cc(-n3cccn3)ccc2n1.CNc1nc(C)c2cc(Br)ccc2n1.c1cn[nH]c1
InChIInChI=1S/C13H13N5.C10H10BrN3.C3H4N2/c1-9-11-8-10(18-7-3-6-15-18)4-5-12(11)17-13(14-2)16-9;1-6-8-5-7(11)3-4-9(8)14-10(12-2)13-6;1-2-4-5-3-1/h3-8H,1-2H3,(H,14,16,17);3-5H,1-2H3,(H,12,13,14);1-3H,(H,4,5)
InChIKeyVCGAUIHUWQPIOB-UHFFFAOYSA-N
MW559.48 g/mol
LogP5.32
Rot. Bonds3

About 6-bromo-N,4-dimethylquinazolin-2-amine;N,4-dimethyl-6-pyrazol-1-ylquinazolin-2-amine;1H-pyrazole

6-bromo-N,4-dimethylquinazolin-2-amine;N,4-dimethyl-6-pyrazol-1-ylquinazolin-2-amine;1H-pyrazole (PubChem CID 161258504) has the molecular formula C26H27BrN10 and a molecular weight of 559.48 g/mol. Its IUPAC name is 6-bromo-N,4-dimethylquinazolin-2-amine;N,4-dimethyl-6-pyrazol-1-ylquinazolin-2-amine;1H-pyrazole.

Molecular Properties

Compound Name6-bromo-N,4-dimethylquinazolin-2-amine;N,4-dimethyl-6-pyrazol-1-ylquinazolin-2-amine;1H-pyrazole
PubChem CID161258504
Molecular FormulaC26H27BrN10
Molecular Weight559.48 g/mol
Exact Mass558.16
IUPAC Name6-bromo-N,4-dimethylquinazolin-2-amine;N,4-dimethyl-6-pyrazol-1-ylquinazolin-2-amine;1H-pyrazole
SMILESCNc1nc(C)c2cc(-n3cccn3)ccc2n1.CNc1nc(C)c2cc(Br)ccc2n1.c1cn[nH]c1
InChIInChI=1S/C13H13N5.C10H10BrN3.C3H4N2/c1-9-11-8-10(18-7-3-6-15-18)4-5-12(11)17-13(14-2)16-9;1-6-8-5-7(11)3-4-9(8)14-10(12-2)13-6;1-2-4-5-3-1/h3-8H,1-2H3,(H,14,16,17);3-5H,1-2H3,(H,12,13,14);1-3H,(H,4,5)
InChIKeyVCGAUIHUWQPIOB-UHFFFAOYSA-N
XLogP5.32
TPSA122.12 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.48
LogP ≤ 55.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 6-bromo-N,4-dimethylquinazolin-2-amine;N,4-dimethyl-6-pyrazol-1-ylquinazolin-2-amine;1H-pyrazole with MolForge

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Launch Full Analysis

Related Compounds

N-(3-bromophenyl)-1H-pyrazolo[3,4-g]quinazolin-8-amine
CID 5328241
N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine
CID 9998128
N-(1H-indazol-5-yl)-N'-[2-(1H-indol-3-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine
CID 10111591
4-N-(3-bromophenyl)-6-N-(pyridin-2-ylmethyldiazenyl)quinazoline-4,6-diamine
CID 10938977
N-(4-(3-(6-methylpyridin-3-yl)-1H-1,2,4-triazol-1-yl)phenyl)-7-(1H-pyrazol-4-yl)quinazolin-2-amine
CID 54587176
7-(1-methyl-1H-pyrazol-4-yl)-N-(4-(3-(pyridin-2-yl)-1H-1,2,4-triazol-1-yl)phenyl)quinazolin-2-amine
CID 54587177
6-bromo-2-N-(1H-indazol-5-yl)-4-N-[2-(1H-indol-3-yl)ethyl]quinazoline-2,4-diamine
CID 137645749
6-bromo-4-N-(1H-indazol-5-yl)-2-N-[2-(1H-indol-3-yl)ethyl]quinazoline-2,4-diamine
CID 137651558
6-fluoro-4-N-(1H-indazol-5-yl)-2-N-[2-(1H-indol-3-yl)ethyl]quinazoline-2,4-diamine
CID 137653619
4-N-(1H-indazol-5-yl)-2-N-[2-(1H-indol-3-yl)ethyl]quinazoline-2,4-diamine
CID 137656968
2-N-(7-bromo-1H-indazol-5-yl)-6-chloro-4-N-[2-(1H-indol-3-yl)ethyl]quinazoline-2,4-diamine
CID 137631877
2-N-(1H-indazol-5-yl)-4-N-[2-(1H-indol-3-yl)ethyl]quinazoline-2,4-diamine
CID 137659229

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N,4-dimethylquinazolin-2-amine;N,4-dimethyl-6-pyrazol-1-ylquinazolin-2-amine;1H-pyrazole?
The IUPAC name of 6-bromo-N,4-dimethylquinazolin-2-amine;N,4-dimethyl-6-pyrazol-1-ylquinazolin-2-amine;1H-pyrazole (CID 161258504) is 6-bromo-N,4-dimethylquinazolin-2-amine;N,4-dimethyl-6-pyrazol-1-ylquinazolin-2-amine;1H-pyrazole.
What is the SMILES notation for 6-bromo-N,4-dimethylquinazolin-2-amine;N,4-dimethyl-6-pyrazol-1-ylquinazolin-2-amine;1H-pyrazole?
The canonical SMILES for 6-bromo-N,4-dimethylquinazolin-2-amine;N,4-dimethyl-6-pyrazol-1-ylquinazolin-2-amine;1H-pyrazole is CNc1nc(C)c2cc(-n3cccn3)ccc2n1.CNc1nc(C)c2cc(Br)ccc2n1.c1cn[nH]c1.
What is the InChIKey of 6-bromo-N,4-dimethylquinazolin-2-amine;N,4-dimethyl-6-pyrazol-1-ylquinazolin-2-amine;1H-pyrazole?
The InChIKey is VCGAUIHUWQPIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5.C10H10BrN3.C3H4N2/c1-9-11-8-10(18-7-3-6-15-18)4-5-12(11)17-13(14-2)16-9;1-6-8-5-7(11)3-4-9(8)14-10(12-2)13-6;1-2-4-5-3-1/h3-8H,1-2H3,(H,14,16,17);3-5H,1-2H3,(H,12,13,14);1-3H,(H,4,5).
What are the key properties of 6-bromo-N,4-dimethylquinazolin-2-amine;N,4-dimethyl-6-pyrazol-1-ylquinazolin-2-amine;1H-pyrazole?
6-bromo-N,4-dimethylquinazolin-2-amine;N,4-dimethyl-6-pyrazol-1-ylquinazolin-2-amine;1H-pyrazole has a molecular weight of 559.48 g/mol, XLogP of 5.32, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N,4-dimethylquinazolin-2-amine;N,4-dimethyl-6-pyrazol-1-ylquinazolin-2-amine;1H-pyrazole is sourced from PubChem (CID 161258504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).