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

C15H18FN3O — CID 133271712

IUPAC6-fluoro-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine
SMILESCN(CC1CCCCO1)c1ncnc2ccc(F)cc12
InChIInChI=1S/C15H18FN3O/c1-19(9-12-4-2-3-7-20-12)15-13-8-11(16)5-6-14(13)17-10-18-15/h5-6,8,10,12H,2-4,7,9H2,1H3
InChIKeyKIUCJIOQZGIPMR-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.77
Rot. Bonds3

About 6-fluoro-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine

6-fluoro-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine (PubChem CID 133271712) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 6-fluoro-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine
PubChem CID133271712
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name6-fluoro-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine
SMILESCN(CC1CCCCO1)c1ncnc2ccc(F)cc12
InChIInChI=1S/C15H18FN3O/c1-19(9-12-4-2-3-7-20-12)15-13-8-11(16)5-6-14(13)17-10-18-15/h5-6,8,10,12H,2-4,7,9H2,1H3
InChIKeyKIUCJIOQZGIPMR-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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Related Compounds

6-bromo-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine
CID 133271711
N-methyl-N-(oxan-2-ylmethyl)-7H-purin-6-amine
CID 47357925
6-fluoro-N-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 115416622
4-fluoro-1-N-methyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 61431331
6-fluoro-N-methyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine
CID 171691676
6-bromo-4-N-methyl-4-N-(oxan-2-ylmethyl)quinoline-3,4-diamine
CID 61431679
6-fluoro-N-[2-(4-fluorophenoxy)ethyl]-N-methylquinazolin-4-amine
CID 78901493
6-chloro-N-methyl-5-nitro-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 62102507
6-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)quinazolin-4-amine
CID 112507739
6-N-ethyl-4-N-methyl-4-N-(oxan-2-ylmethyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80780441
5-fluoro-2-N,4-N-dimethyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4-diamine
CID 80795547
3-(bromomethyl)-N-methyl-N-(oxan-2-ylmethyl)quinolin-2-amine
CID 107081248

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of 6-fluoro-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine (CID 133271712) is 6-fluoro-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 6-fluoro-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 6-fluoro-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine is CN(CC1CCCCO1)c1ncnc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine?
The InChIKey is KIUCJIOQZGIPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-19(9-12-4-2-3-7-20-12)15-13-8-11(16)5-6-14(13)17-10-18-15/h5-6,8,10,12H,2-4,7,9H2,1H3.
What are the key properties of 6-fluoro-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine?
6-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 6-fluoro-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 133271712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).