6-bromo-N-propan-2-ylquinazolin-4-amine;6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-propan-2-ylquinazolin-4-amine

C24H30BrN7OS — CID 159072348

IUPAC6-bromo-N-propan-2-ylquinazolin-4-amine;6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-propan-2-ylquinazolin-4-amine
SMILESCC(C)Nc1ncnc2ccc(Br)cc12.CC(C)Nc1ncnc2ccc(N=S(C)(C)=O)cc12
InChIInChI=1S/C13H18N4OS.C11H12BrN3/c1-9(2)16-13-11-7-10(17-19(3,4)18)5-6-12(11)14-8-15-13;1-7(2)15-11-9-5-8(12)3-4-10(9)13-6-14-11/h5-9H,1-4H3,(H,14,15,16);3-7H,1-2H3,(H,13,14,15)
InChIKeyJZUYXLYGIZKBTL-UHFFFAOYSA-N
MW544.52 g/mol
LogP6.02
Rot. Bonds5

About 6-bromo-N-propan-2-ylquinazolin-4-amine;6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-propan-2-ylquinazolin-4-amine

6-bromo-N-propan-2-ylquinazolin-4-amine;6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-propan-2-ylquinazolin-4-amine (PubChem CID 159072348) has the molecular formula C24H30BrN7OS and a molecular weight of 544.52 g/mol. Its IUPAC name is 6-bromo-N-propan-2-ylquinazolin-4-amine;6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-propan-2-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-propan-2-ylquinazolin-4-amine;6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-propan-2-ylquinazolin-4-amine
PubChem CID159072348
Molecular FormulaC24H30BrN7OS
Molecular Weight544.52 g/mol
Exact Mass543.14
IUPAC Name6-bromo-N-propan-2-ylquinazolin-4-amine;6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-propan-2-ylquinazolin-4-amine
SMILESCC(C)Nc1ncnc2ccc(Br)cc12.CC(C)Nc1ncnc2ccc(N=S(C)(C)=O)cc12
InChIInChI=1S/C13H18N4OS.C11H12BrN3/c1-9(2)16-13-11-7-10(17-19(3,4)18)5-6-12(11)14-8-15-13;1-7(2)15-11-9-5-8(12)3-4-10(9)13-6-14-11/h5-9H,1-4H3,(H,14,15,16);3-7H,1-2H3,(H,13,14,15)
InChIKeyJZUYXLYGIZKBTL-UHFFFAOYSA-N
XLogP6.02
TPSA105.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.52
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N4-(3-Bromophenyl)quinazoline-4,6-diamine
CID 5328042
Smer 28
CID 1560402
4-N-(3-bromophenyl)-6-N-methylquinazoline-4,6-diamine
CID 5328203
6-bromo-N-m-tolylquinazolin-4-amine
CID 720633
4-N-[(3-bromophenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328082
N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}ethene-1-sulfonamide
CID 5329094
6-bromo-N-(4-morpholinophenyl)quinazolin-4-amine
CID 1189450
6-bromo-N-(pyridin-3-ylmethyl)quinazolin-4-amine
CID 2072948
4-N-(3-bromophenyl)-6-N,6-N-dimethylquinazoline-4,6-diamine
CID 5328204
N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(thiomorpholin-4-yl)but-2-ynamide
CID 5328962
6-[(4-Bromo-2-methyl-anilino)methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
CID 470201
N6-[(3-bromophenyl)methyl]quinazoline-2,4,6-triamine
CID 44384038

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-propan-2-ylquinazolin-4-amine;6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-propan-2-ylquinazolin-4-amine?
The IUPAC name of 6-bromo-N-propan-2-ylquinazolin-4-amine;6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-propan-2-ylquinazolin-4-amine (CID 159072348) is 6-bromo-N-propan-2-ylquinazolin-4-amine;6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-propan-2-ylquinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-propan-2-ylquinazolin-4-amine;6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-propan-2-ylquinazolin-4-amine?
The canonical SMILES for 6-bromo-N-propan-2-ylquinazolin-4-amine;6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-propan-2-ylquinazolin-4-amine is CC(C)Nc1ncnc2ccc(Br)cc12.CC(C)Nc1ncnc2ccc(N=S(C)(C)=O)cc12.
What is the InChIKey of 6-bromo-N-propan-2-ylquinazolin-4-amine;6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-propan-2-ylquinazolin-4-amine?
The InChIKey is JZUYXLYGIZKBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS.C11H12BrN3/c1-9(2)16-13-11-7-10(17-19(3,4)18)5-6-12(11)14-8-15-13;1-7(2)15-11-9-5-8(12)3-4-10(9)13-6-14-11/h5-9H,1-4H3,(H,14,15,16);3-7H,1-2H3,(H,13,14,15).
What are the key properties of 6-bromo-N-propan-2-ylquinazolin-4-amine;6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-propan-2-ylquinazolin-4-amine?
6-bromo-N-propan-2-ylquinazolin-4-amine;6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-propan-2-ylquinazolin-4-amine has a molecular weight of 544.52 g/mol, XLogP of 6.02, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-propan-2-ylquinazolin-4-amine;6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-propan-2-ylquinazolin-4-amine is sourced from PubChem (CID 159072348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).