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

C23H20N4O2 — CID 155755946

IUPACN-(4-phenylmethoxyphenyl)-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine
SMILESc1ccc(COc2ccc(Nc3ncnc4ccc5c(c34)OCCN5)cc2)cc1
InChIInChI=1S/C23H20N4O2/c1-2-4-16(5-3-1)14-29-18-8-6-17(7-9-18)27-23-21-19(25-15-26-23)10-11-20-22(21)28-13-12-24-20/h1-11,15,24H,12-14H2,(H,25,26,27)
InChIKeyGMZYBXWOEMDFNQ-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.76
Rot. Bonds5

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

N-(4-phenylmethoxyphenyl)-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine (PubChem CID 155755946) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-(4-phenylmethoxyphenyl)-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine.

Molecular Properties

Compound NameN-(4-phenylmethoxyphenyl)-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine
PubChem CID155755946
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC NameN-(4-phenylmethoxyphenyl)-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine
SMILESc1ccc(COc2ccc(Nc3ncnc4ccc5c(c34)OCCN5)cc2)cc1
InChIInChI=1S/C23H20N4O2/c1-2-4-16(5-3-1)14-29-18-8-6-17(7-9-18)27-23-21-19(25-15-26-23)10-11-20-22(21)28-13-12-24-20/h1-11,15,24H,12-14H2,(H,25,26,27)
InChIKeyGMZYBXWOEMDFNQ-UHFFFAOYSA-N
XLogP4.76
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(2-fluorophenyl)methoxy]phenyl]-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine
CID 155756044
N-(4-pyridin-3-yloxyphenyl)-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine
CID 155755952
N-[4-[2-[3-(dimethylamino)propoxy]phenoxy]phenyl]-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine
CID 155755996
N-[4-(1,3-thiazol-2-yloxy)phenyl]-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine
CID 155756021
5,6-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 67698116
(E)-4-(dimethylamino)-1-[10-[4-(pyridin-3-ylmethoxy)anilino]-2,3-dihydropyrimido[4,5-h][1,4]benzoxazin-4-yl]but-2-en-1-one
CID 155755956
6-fluoro-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 54550318
N-(4-phenylmethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
CID 22112865
4-(4-phenylmethoxyanilino)quinazolin-7-ol
CID 135984119
6-methylsulfanyl-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 57260574
N-(4-phenylmethoxyphenyl)-6-(2,2,2-trifluoroethoxy)quinazolin-4-amine
CID 56981677
2-[4-(4-phenylmethoxyanilino)quinazolin-6-yl]prop-2-enoic acid
CID 18535943

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylmethoxyphenyl)-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine?
The IUPAC name of N-(4-phenylmethoxyphenyl)-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine (CID 155755946) is N-(4-phenylmethoxyphenyl)-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine.
What is the SMILES notation for N-(4-phenylmethoxyphenyl)-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine?
The canonical SMILES for N-(4-phenylmethoxyphenyl)-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine is c1ccc(COc2ccc(Nc3ncnc4ccc5c(c34)OCCN5)cc2)cc1.
What is the InChIKey of N-(4-phenylmethoxyphenyl)-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine?
The InChIKey is GMZYBXWOEMDFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-2-4-16(5-3-1)14-29-18-8-6-17(7-9-18)27-23-21-19(25-15-26-23)10-11-20-22(21)28-13-12-24-20/h1-11,15,24H,12-14H2,(H,25,26,27).
What are the key properties of N-(4-phenylmethoxyphenyl)-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine?
N-(4-phenylmethoxyphenyl)-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine has a molecular weight of 384.44 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylmethoxyphenyl)-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine is sourced from PubChem (CID 155755946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).