4-N-[(2-fluorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine

C16H15FN4 — CID 80773003

IUPAC4-N-[(2-fluorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine
SMILESCNc1nc(NCc2ccccc2F)c2ccccc2n1
InChIInChI=1S/C16H15FN4/c1-18-16-20-14-9-5-3-7-12(14)15(21-16)19-10-11-6-2-4-8-13(11)17/h2-9H,10H2,1H3,(H2,18,19,20,21)
InChIKeyNKPVUESJONWGFM-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.42
Rot. Bonds4

About 4-N-[(2-fluorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine

4-N-[(2-fluorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine (PubChem CID 80773003) has the molecular formula C16H15FN4 and a molecular weight of 282.32 g/mol. Its IUPAC name is 4-N-[(2-fluorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2-fluorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine
PubChem CID80773003
Molecular FormulaC16H15FN4
Molecular Weight282.32 g/mol
Exact Mass282.13
IUPAC Name4-N-[(2-fluorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine
SMILESCNc1nc(NCc2ccccc2F)c2ccccc2n1
InChIInChI=1S/C16H15FN4/c1-18-16-20-14-9-5-3-7-12(14)15(21-16)19-10-11-6-2-4-8-13(11)17/h2-9H,10H2,1H3,(H2,18,19,20,21)
InChIKeyNKPVUESJONWGFM-UHFFFAOYSA-N
XLogP3.42
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(4-chlorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine
CID 80750131
2-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]quinazoline-2,4-diamine
CID 80796871
2-N-methyl-4-N-(1,2-oxazol-5-ylmethyl)quinazoline-2,4-diamine
CID 106424669
4-N-cyclohexyl-2-N-[(2-fluorophenyl)methyl]quinazoline-2,4-diamine
CID 134106271
2-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine
CID 80770166
2-N-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)quinazoline-2,4-diamine
CID 106411968
4-N-[2-(dimethylamino)-2-methylpropyl]-2-N-methylquinazoline-2,4-diamine
CID 80812879
4-N-(cyclopentylmethyl)-2-N-methylquinazoline-2,4-diamine
CID 80783719
4-N-(2-ethoxyethyl)-2-N-methylquinazoline-2,4-diamine
CID 80792753
2-N-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]quinazoline-2,4-diamine
CID 80819151
4-N-(5-chloro-2-fluorophenyl)-2-N-methylquinazoline-2,4-diamine
CID 80773567
4-N-[2-(furan-2-yl)ethyl]-2-N-methylquinazoline-2,4-diamine
CID 80803693

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-fluorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine?
The IUPAC name of 4-N-[(2-fluorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine (CID 80773003) is 4-N-[(2-fluorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-[(2-fluorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-[(2-fluorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine is CNc1nc(NCc2ccccc2F)c2ccccc2n1.
What is the InChIKey of 4-N-[(2-fluorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine?
The InChIKey is NKPVUESJONWGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4/c1-18-16-20-14-9-5-3-7-12(14)15(21-16)19-10-11-6-2-4-8-13(11)17/h2-9H,10H2,1H3,(H2,18,19,20,21).
What are the key properties of 4-N-[(2-fluorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine?
4-N-[(2-fluorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine has a molecular weight of 282.32 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-fluorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine is sourced from PubChem (CID 80773003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).