N-[4-[(2-fluorophenyl)methoxy]phenyl]-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine

C23H19FN4O2 — CID 155756044

IUPACN-[4-[(2-fluorophenyl)methoxy]phenyl]-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine
SMILESFc1ccccc1COc1ccc(Nc2ncnc3ccc4c(c23)OCCN4)cc1
InChIInChI=1S/C23H19FN4O2/c24-18-4-2-1-3-15(18)13-30-17-7-5-16(6-8-17)28-23-21-19(26-14-27-23)9-10-20-22(21)29-12-11-25-20/h1-10,14,25H,11-13H2,(H,26,27,28)
InChIKeyCVLKRHGGQCJEOV-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.90
Rot. Bonds5

About N-[4-[(2-fluorophenyl)methoxy]phenyl]-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine

N-[4-[(2-fluorophenyl)methoxy]phenyl]-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine (PubChem CID 155756044) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is N-[4-[(2-fluorophenyl)methoxy]phenyl]-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine.

Molecular Properties

Compound NameN-[4-[(2-fluorophenyl)methoxy]phenyl]-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine
PubChem CID155756044
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC NameN-[4-[(2-fluorophenyl)methoxy]phenyl]-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine
SMILESFc1ccccc1COc1ccc(Nc2ncnc3ccc4c(c23)OCCN4)cc1
InChIInChI=1S/C23H19FN4O2/c24-18-4-2-1-3-15(18)13-30-17-7-5-16(6-8-17)28-23-21-19(26-14-27-23)9-10-20-22(21)29-12-11-25-20/h1-10,14,25H,11-13H2,(H,26,27,28)
InChIKeyCVLKRHGGQCJEOV-UHFFFAOYSA-N
XLogP4.90
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-fluorophenyl)methoxy]phenyl]-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine?
The IUPAC name of N-[4-[(2-fluorophenyl)methoxy]phenyl]-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine (CID 155756044) is N-[4-[(2-fluorophenyl)methoxy]phenyl]-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine.
What is the SMILES notation for N-[4-[(2-fluorophenyl)methoxy]phenyl]-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine?
The canonical SMILES for N-[4-[(2-fluorophenyl)methoxy]phenyl]-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine is Fc1ccccc1COc1ccc(Nc2ncnc3ccc4c(c23)OCCN4)cc1.
What is the InChIKey of N-[4-[(2-fluorophenyl)methoxy]phenyl]-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine?
The InChIKey is CVLKRHGGQCJEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c24-18-4-2-1-3-15(18)13-30-17-7-5-16(6-8-17)28-23-21-19(26-14-27-23)9-10-20-22(21)29-12-11-25-20/h1-10,14,25H,11-13H2,(H,26,27,28).
What are the key properties of N-[4-[(2-fluorophenyl)methoxy]phenyl]-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine?
N-[4-[(2-fluorophenyl)methoxy]phenyl]-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine has a molecular weight of 402.43 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-fluorophenyl)methoxy]phenyl]-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine is sourced from PubChem (CID 155756044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).