2-chloro-6-fluoro-8-methyl-N-propan-2-ylquinazolin-4-amine

C12H13ClFN3 — CID 114693172

IUPAC2-chloro-6-fluoro-8-methyl-N-propan-2-ylquinazolin-4-amine
SMILESCc1cc(F)cc2c(NC(C)C)nc(Cl)nc12
InChIInChI=1S/C12H13ClFN3/c1-6(2)15-11-9-5-8(14)4-7(3)10(9)16-12(13)17-11/h4-6H,1-3H3,(H,15,16,17)
InChIKeyDBFWHGMHWJMQBK-UHFFFAOYSA-N
MW253.71 g/mol
LogP3.55
Rot. Bonds2

About 2-chloro-6-fluoro-8-methyl-N-propan-2-ylquinazolin-4-amine

2-chloro-6-fluoro-8-methyl-N-propan-2-ylquinazolin-4-amine (PubChem CID 114693172) has the molecular formula C12H13ClFN3 and a molecular weight of 253.71 g/mol. Its IUPAC name is 2-chloro-6-fluoro-8-methyl-N-propan-2-ylquinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-6-fluoro-8-methyl-N-propan-2-ylquinazolin-4-amine
PubChem CID114693172
Molecular FormulaC12H13ClFN3
Molecular Weight253.71 g/mol
Exact Mass253.08
IUPAC Name2-chloro-6-fluoro-8-methyl-N-propan-2-ylquinazolin-4-amine
SMILESCc1cc(F)cc2c(NC(C)C)nc(Cl)nc12
InChIInChI=1S/C12H13ClFN3/c1-6(2)15-11-9-5-8(14)4-7(3)10(9)16-12(13)17-11/h4-6H,1-3H3,(H,15,16,17)
InChIKeyDBFWHGMHWJMQBK-UHFFFAOYSA-N
XLogP3.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-7-fluoro-8-methyl-N-propan-2-ylquinazolin-4-amine
CID 114693358
(6-fluoro-8-methyl-2-propan-2-ylquinolin-4-yl)hydrazine
CID 62251317
2,7-dichloro-N-propan-2-ylquinazolin-4-amine
CID 114693126
6-bromo-2-chloro-N-propan-2-ylquinazolin-4-amine
CID 114692800
6-bromo-2-chloro-N-(3-chloro-4-fluorophenyl)-8-methylquinazolin-4-amine
CID 137442753
2-chloro-6-methyl-N-propan-2-ylpyrimidin-4-amine
CID 53385561
2-chloro-6-ethyl-N-propan-2-ylquinazolin-4-amine
CID 114693032
4-chloro-6-fluoro-8-methylquinoline-2-carboxylic acid
CID 63376825
2,5-dichloro-6-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine
CID 88768485
6-fluoro-2,8-dimethylquinolin-4-amine
CID 54772876
N-[4-[1-[(2-chloro-8-methylquinazolin-4-yl)amino]ethyl]phenyl]-4-fluorobenzamide
CID 87630675
(2-ethyl-6-fluoro-8-methylquinolin-4-yl)hydrazine
CID 62251142

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-8-methyl-N-propan-2-ylquinazolin-4-amine?
The IUPAC name of 2-chloro-6-fluoro-8-methyl-N-propan-2-ylquinazolin-4-amine (CID 114693172) is 2-chloro-6-fluoro-8-methyl-N-propan-2-ylquinazolin-4-amine.
What is the SMILES notation for 2-chloro-6-fluoro-8-methyl-N-propan-2-ylquinazolin-4-amine?
The canonical SMILES for 2-chloro-6-fluoro-8-methyl-N-propan-2-ylquinazolin-4-amine is Cc1cc(F)cc2c(NC(C)C)nc(Cl)nc12.
What is the InChIKey of 2-chloro-6-fluoro-8-methyl-N-propan-2-ylquinazolin-4-amine?
The InChIKey is DBFWHGMHWJMQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3/c1-6(2)15-11-9-5-8(14)4-7(3)10(9)16-12(13)17-11/h4-6H,1-3H3,(H,15,16,17).
What are the key properties of 2-chloro-6-fluoro-8-methyl-N-propan-2-ylquinazolin-4-amine?
2-chloro-6-fluoro-8-methyl-N-propan-2-ylquinazolin-4-amine has a molecular weight of 253.71 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-8-methyl-N-propan-2-ylquinazolin-4-amine is sourced from PubChem (CID 114693172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).