6-bromo-N-[(3,5-difluoro-2-pyridinyl)methyl]quinazolin-4-amine

C14H9BrF2N4 — CID 155340154

IUPAC6-bromo-N-[(3,5-difluoro-2-pyridinyl)methyl]quinazolin-4-amine
SMILESFc1cnc(CNc2ncnc3ccc(Br)cc23)c(F)c1
InChIInChI=1S/C14H9BrF2N4/c15-8-1-2-12-10(3-8)14(21-7-20-12)19-6-13-11(17)4-9(16)5-18-13/h1-5,7H,6H2,(H,19,20,21)
InChIKeyZFTBJLOIPZXYIP-UHFFFAOYSA-N
MW351.15 g/mol
LogP3.68
Rot. Bonds3

About 6-bromo-N-[(3,5-difluoro-2-pyridinyl)methyl]quinazolin-4-amine

6-bromo-N-[(3,5-difluoro-2-pyridinyl)methyl]quinazolin-4-amine (PubChem CID 155340154) has the molecular formula C14H9BrF2N4 and a molecular weight of 351.15 g/mol. Its IUPAC name is 6-bromo-N-[(3,5-difluoro-2-pyridinyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-[(3,5-difluoro-2-pyridinyl)methyl]quinazolin-4-amine
PubChem CID155340154
Molecular FormulaC14H9BrF2N4
Molecular Weight351.15 g/mol
Exact Mass350.00
IUPAC Name6-bromo-N-[(3,5-difluoro-2-pyridinyl)methyl]quinazolin-4-amine
SMILESFc1cnc(CNc2ncnc3ccc(Br)cc23)c(F)c1
InChIInChI=1S/C14H9BrF2N4/c15-8-1-2-12-10(3-8)14(21-7-20-12)19-6-13-11(17)4-9(16)5-18-13/h1-5,7H,6H2,(H,19,20,21)
InChIKeyZFTBJLOIPZXYIP-UHFFFAOYSA-N
XLogP3.68
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.15
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromophenyl)methyl]-6-fluoroquinazolin-4-amine
CID 133292923
6-bromo-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]quinazolin-4-amine
CID 133314883
6-bromo-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 21002502
6-bromo-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine
CID 25175672
6-bromo-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]quinazolin-4-amine
CID 133342144
6-bromo-N-(2-methyl-2-methylsulfanylpropyl)quinazolin-4-amine
CID 133327454
2-[(6-bromoquinazolin-4-yl)amino]acetic acid;hydrochloride
CID 18590558
5-[[(6-bromoquinazolin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one
CID 133367412
5-[[(6-bromoquinazolin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 86816263
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-6-fluoroquinazolin-4-amine
CID 133269866
6-bromo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinazolin-4-amine
CID 110431581
6-bromo-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 67085882

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(3,5-difluoro-2-pyridinyl)methyl]quinazolin-4-amine?
The IUPAC name of 6-bromo-N-[(3,5-difluoro-2-pyridinyl)methyl]quinazolin-4-amine (CID 155340154) is 6-bromo-N-[(3,5-difluoro-2-pyridinyl)methyl]quinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-[(3,5-difluoro-2-pyridinyl)methyl]quinazolin-4-amine?
The canonical SMILES for 6-bromo-N-[(3,5-difluoro-2-pyridinyl)methyl]quinazolin-4-amine is Fc1cnc(CNc2ncnc3ccc(Br)cc23)c(F)c1.
What is the InChIKey of 6-bromo-N-[(3,5-difluoro-2-pyridinyl)methyl]quinazolin-4-amine?
The InChIKey is ZFTBJLOIPZXYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2N4/c15-8-1-2-12-10(3-8)14(21-7-20-12)19-6-13-11(17)4-9(16)5-18-13/h1-5,7H,6H2,(H,19,20,21).
What are the key properties of 6-bromo-N-[(3,5-difluoro-2-pyridinyl)methyl]quinazolin-4-amine?
6-bromo-N-[(3,5-difluoro-2-pyridinyl)methyl]quinazolin-4-amine has a molecular weight of 351.15 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(3,5-difluoro-2-pyridinyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 155340154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).