N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C15H13FN4O2 — CID 126772327

IUPACN-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1noc2ncnc(NC3CCOc4ccc(F)cc43)c12
InChIInChI=1S/C15H13FN4O2/c1-8-13-14(17-7-18-15(13)22-20-8)19-11-4-5-21-12-3-2-9(16)6-10(11)12/h2-3,6-7,11H,4-5H2,1H3,(H,17,18,19)
InChIKeyUOVWDRLRXSWYKS-UHFFFAOYSA-N
MW300.29 g/mol
LogP3.00
Rot. Bonds2

About N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 126772327) has the molecular formula C15H13FN4O2 and a molecular weight of 300.29 g/mol. Its IUPAC name is N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID126772327
Molecular FormulaC15H13FN4O2
Molecular Weight300.29 g/mol
Exact Mass300.10
IUPAC NameN-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1noc2ncnc(NC3CCOc4ccc(F)cc43)c12
InChIInChI=1S/C15H13FN4O2/c1-8-13-14(17-7-18-15(13)22-20-8)19-11-4-5-21-12-3-2-9(16)6-10(11)12/h2-3,6-7,11H,4-5H2,1H3,(H,17,18,19)
InChIKeyUOVWDRLRXSWYKS-UHFFFAOYSA-N
XLogP3.00
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 126772327) is N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is Cc1noc2ncnc(NC3CCOc4ccc(F)cc43)c12.
What is the InChIKey of N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is UOVWDRLRXSWYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2/c1-8-13-14(17-7-18-15(13)22-20-8)19-11-4-5-21-12-3-2-9(16)6-10(11)12/h2-3,6-7,11H,4-5H2,1H3,(H,17,18,19).
What are the key properties of N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 300.29 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 126772327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).