7-fluoro-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine

C15H18FN3O — CID 72875201

IUPAC7-fluoro-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine
SMILESCN(CC1CCCCO1)c1ncnc2cc(F)ccc12
InChIInChI=1S/C15H18FN3O/c1-19(9-12-4-2-3-7-20-12)15-13-6-5-11(16)8-14(13)17-10-18-15/h5-6,8,10,12H,2-4,7,9H2,1H3
InChIKeyPRFFHBFSUREBBZ-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.77
Rot. Bonds3

About 7-fluoro-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine

7-fluoro-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine (PubChem CID 72875201) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 7-fluoro-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name7-fluoro-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine
PubChem CID72875201
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name7-fluoro-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine
SMILESCN(CC1CCCCO1)c1ncnc2cc(F)ccc12
InChIInChI=1S/C15H18FN3O/c1-19(9-12-4-2-3-7-20-12)15-13-6-5-11(16)8-14(13)17-10-18-15/h5-6,8,10,12H,2-4,7,9H2,1H3
InChIKeyPRFFHBFSUREBBZ-UHFFFAOYSA-N
XLogP2.77
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of 7-fluoro-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine (CID 72875201) is 7-fluoro-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 7-fluoro-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 7-fluoro-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine is CN(CC1CCCCO1)c1ncnc2cc(F)ccc12.
What is the InChIKey of 7-fluoro-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine?
The InChIKey is PRFFHBFSUREBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-19(9-12-4-2-3-7-20-12)15-13-6-5-11(16)8-14(13)17-10-18-15/h5-6,8,10,12H,2-4,7,9H2,1H3.
What are the key properties of 7-fluoro-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine?
7-fluoro-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine has a molecular weight of 275.33 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 72875201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).