N-(3-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C12H9FN4O — CID 20924757

IUPACN-(3-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1noc2ncnc(Nc3cccc(F)c3)c12
InChIInChI=1S/C12H9FN4O/c1-7-10-11(14-6-15-12(10)18-17-7)16-9-4-2-3-8(13)5-9/h2-6H,1H3,(H,14,15,16)
InChIKeyGLGTVCGSTWAORH-UHFFFAOYSA-N
MW244.23 g/mol
LogP2.81
Rot. Bonds2

About N-(3-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

N-(3-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 20924757) has the molecular formula C12H9FN4O and a molecular weight of 244.23 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID20924757
Molecular FormulaC12H9FN4O
Molecular Weight244.23 g/mol
Exact Mass244.08
IUPAC NameN-(3-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1noc2ncnc(Nc3cccc(F)c3)c12
InChIInChI=1S/C12H9FN4O/c1-7-10-11(14-6-15-12(10)18-17-7)16-9-4-2-3-8(13)5-9/h2-6H,1H3,(H,14,15,16)
InChIKeyGLGTVCGSTWAORH-UHFFFAOYSA-N
XLogP2.81
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20924668
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359455
4-N-(3-fluorophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80761354
N-(3-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 769518
4-N-(3-fluorophenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80760533
N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 99844656
2-[(3-fluorophenyl)methyl]-3-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoic acid
CID 167751709
N-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20922617
4-chloro-3-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)benzene-1,3-diamine
CID 63276877
2-methyl-6-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-4H-1,4-benzoxazin-3-one
CID 126781621
5-(4-chlorophenyl)-N-(3-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21010083
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 126772327

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 20924757) is N-(3-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is Cc1noc2ncnc(Nc3cccc(F)c3)c12.
What is the InChIKey of N-(3-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is GLGTVCGSTWAORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O/c1-7-10-11(14-6-15-12(10)18-17-7)16-9-4-2-3-8(13)5-9/h2-6H,1H3,(H,14,15,16).
What are the key properties of N-(3-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
N-(3-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 244.23 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 20924757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).