N-[(2,5-difluorophenyl)methyl]quinazolin-4-amine

C15H11F2N3 — CID 63373228

IUPACN-[(2,5-difluorophenyl)methyl]quinazolin-4-amine
SMILESFc1ccc(F)c(CNc2ncnc3ccccc23)c1
InChIInChI=1S/C15H11F2N3/c16-11-5-6-13(17)10(7-11)8-18-15-12-3-1-2-4-14(12)19-9-20-15/h1-7,9H,8H2,(H,18,19,20)
InChIKeyLDMBQWXJMLWTHS-UHFFFAOYSA-N
MW271.27 g/mol
LogP3.52
Rot. Bonds3

About N-[(2,5-difluorophenyl)methyl]quinazolin-4-amine

N-[(2,5-difluorophenyl)methyl]quinazolin-4-amine (PubChem CID 63373228) has the molecular formula C15H11F2N3 and a molecular weight of 271.27 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]quinazolin-4-amine
PubChem CID63373228
Molecular FormulaC15H11F2N3
Molecular Weight271.27 g/mol
Exact Mass271.09
IUPAC NameN-[(2,5-difluorophenyl)methyl]quinazolin-4-amine
SMILESFc1ccc(F)c(CNc2ncnc3ccccc23)c1
InChIInChI=1S/C15H11F2N3/c16-11-5-6-13(17)10(7-11)8-18-15-12-3-1-2-4-14(12)19-9-20-15/h1-7,9H,8H2,(H,18,19,20)
InChIKeyLDMBQWXJMLWTHS-UHFFFAOYSA-N
XLogP3.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-[(quinazolin-4-ylamino)methyl]benzonitrile
CID 91643499
4-N-[(2,5-difluorophenyl)methyl]quinoline-3,4-diamine
CID 103963319
4-N-[(2-fluorophenyl)methyl]quinazoline-4,6-diamine
CID 64590253
2-N-[(2,5-difluorophenyl)methyl]pyridine-2,3-diamine
CID 63795498
N-[(2,5-difluorophenyl)methyl]phthalazin-1-amine
CID 63793401
N-[(2-methoxy-4-methylphenyl)methyl]quinazolin-4-amine
CID 91644459
N-ethylquinazolin-4-amine;fluorobenzene
CID 174725840
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 133278314
N-[(2,5-difluorophenyl)methyl]-3,5-difluoropyridin-2-amine
CID 112675874
2-[(quinazolin-4-ylamino)methyl]benzoic acid
CID 66776604
N-[(2,5-difluorophenyl)methyl]-1H-benzimidazol-2-amine
CID 63795518
6-chloro-N-[(2-chlorophenyl)methyl]quinazolin-4-amine
CID 46879729

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]quinazolin-4-amine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]quinazolin-4-amine (CID 63373228) is N-[(2,5-difluorophenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]quinazolin-4-amine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]quinazolin-4-amine is Fc1ccc(F)c(CNc2ncnc3ccccc23)c1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]quinazolin-4-amine?
The InChIKey is LDMBQWXJMLWTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3/c16-11-5-6-13(17)10(7-11)8-18-15-12-3-1-2-4-14(12)19-9-20-15/h1-7,9H,8H2,(H,18,19,20).
What are the key properties of N-[(2,5-difluorophenyl)methyl]quinazolin-4-amine?
N-[(2,5-difluorophenyl)methyl]quinazolin-4-amine has a molecular weight of 271.27 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 63373228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).