N-[[3-(difluoromethoxy)phenyl]methyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine

C14H14F2N4O2 — CID 167795674

IUPACN-[[3-(difluoromethoxy)phenyl]methyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine
SMILESFC(F)Oc1cccc(CNc2ncnc3c2OCCN3)c1
InChIInChI=1S/C14H14F2N4O2/c15-14(16)22-10-3-1-2-9(6-10)7-18-13-11-12(19-8-20-13)17-4-5-21-11/h1-3,6,8,14H,4-5,7H2,(H2,17,18,19,20)
InChIKeyFHMLARZEHHLSFQ-UHFFFAOYSA-N
MW308.29 g/mol
LogP2.49
Rot. Bonds5

About N-[[3-(difluoromethoxy)phenyl]methyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine

N-[[3-(difluoromethoxy)phenyl]methyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine (PubChem CID 167795674) has the molecular formula C14H14F2N4O2 and a molecular weight of 308.29 g/mol. Its IUPAC name is N-[[3-(difluoromethoxy)phenyl]methyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine.

Molecular Properties

Compound NameN-[[3-(difluoromethoxy)phenyl]methyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine
PubChem CID167795674
Molecular FormulaC14H14F2N4O2
Molecular Weight308.29 g/mol
Exact Mass308.11
IUPAC NameN-[[3-(difluoromethoxy)phenyl]methyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine
SMILESFC(F)Oc1cccc(CNc2ncnc3c2OCCN3)c1
InChIInChI=1S/C14H14F2N4O2/c15-14(16)22-10-3-1-2-9(6-10)7-18-13-11-12(19-8-20-13)17-4-5-21-11/h1-3,6,8,14H,4-5,7H2,(H2,17,18,19,20)
InChIKeyFHMLARZEHHLSFQ-UHFFFAOYSA-N
XLogP2.49
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethoxy)phenyl]methyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine?
The IUPAC name of N-[[3-(difluoromethoxy)phenyl]methyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine (CID 167795674) is N-[[3-(difluoromethoxy)phenyl]methyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine.
What is the SMILES notation for N-[[3-(difluoromethoxy)phenyl]methyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine?
The canonical SMILES for N-[[3-(difluoromethoxy)phenyl]methyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine is FC(F)Oc1cccc(CNc2ncnc3c2OCCN3)c1.
What is the InChIKey of N-[[3-(difluoromethoxy)phenyl]methyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine?
The InChIKey is FHMLARZEHHLSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O2/c15-14(16)22-10-3-1-2-9(6-10)7-18-13-11-12(19-8-20-13)17-4-5-21-11/h1-3,6,8,14H,4-5,7H2,(H2,17,18,19,20).
What are the key properties of N-[[3-(difluoromethoxy)phenyl]methyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine?
N-[[3-(difluoromethoxy)phenyl]methyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine has a molecular weight of 308.29 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethoxy)phenyl]methyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine is sourced from PubChem (CID 167795674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).