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

C19H15N5O2S — CID 155756021

IUPACN-[4-(1,3-thiazol-2-yloxy)phenyl]-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine
SMILESc1csc(Oc2ccc(Nc3ncnc4ccc5c(c34)OCCN5)cc2)n1
InChIInChI=1S/C19H15N5O2S/c1-3-13(26-19-21-8-10-27-19)4-2-12(1)24-18-16-14(22-11-23-18)5-6-15-17(16)25-9-7-20-15/h1-6,8,10-11,20H,7,9H2,(H,22,23,24)
InChIKeyKHMMJNGZPVMBDA-UHFFFAOYSA-N
MW377.43 g/mol
LogP4.43
Rot. Bonds4

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

N-[4-(1,3-thiazol-2-yloxy)phenyl]-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine (PubChem CID 155756021) has the molecular formula C19H15N5O2S and a molecular weight of 377.43 g/mol. Its IUPAC name is N-[4-(1,3-thiazol-2-yloxy)phenyl]-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine.

Molecular Properties

Compound NameN-[4-(1,3-thiazol-2-yloxy)phenyl]-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine
PubChem CID155756021
Molecular FormulaC19H15N5O2S
Molecular Weight377.43 g/mol
Exact Mass377.09
IUPAC NameN-[4-(1,3-thiazol-2-yloxy)phenyl]-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine
SMILESc1csc(Oc2ccc(Nc3ncnc4ccc5c(c34)OCCN5)cc2)n1
InChIInChI=1S/C19H15N5O2S/c1-3-13(26-19-21-8-10-27-19)4-2-12(1)24-18-16-14(22-11-23-18)5-6-15-17(16)25-9-7-20-15/h1-6,8,10-11,20H,7,9H2,(H,22,23,24)
InChIKeyKHMMJNGZPVMBDA-UHFFFAOYSA-N
XLogP4.43
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-pyridin-3-yloxyphenyl)-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine
CID 155755952
N-(4-phenylmethoxyphenyl)-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine
CID 155755946
1-[10-[4-(1,3-thiazol-2-yloxy)anilino]-2,3-dihydropyrimido[4,5-h][1,4]benzoxazin-4-yl]prop-2-en-1-one
CID 155755932
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-[(2-fluorophenyl)methoxy]phenyl]-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine
CID 155756044
(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
N-(4-fluorophenyl)-5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-amine
CID 127051046
2-[4-(oxiran-2-ylmethoxy)phenoxy]-1,3-thiazole
CID 146098550
N-(4-phenoxyphenyl)-6-piperazin-1-ylpyrido[3,2-d]pyrimidin-4-amine
CID 166538822
(E)-4-(dimethylamino)-1-[10-[4-[(2-fluorophenyl)methoxy]anilino]-2,3-dihydropyrimido[4,5-h][1,4]benzoxazin-4-yl]but-2-en-1-one
CID 155755986
(E)-1-[10-(4-chloroanilino)-2,3-dihydropyrimido[4,5-h][1,4]benzoxazin-4-yl]-4-(dimethylamino)but-2-en-1-one
CID 155682617
N-(4-phenylmethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
CID 22112865

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-thiazol-2-yloxy)phenyl]-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine?
The IUPAC name of N-[4-(1,3-thiazol-2-yloxy)phenyl]-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine (CID 155756021) is N-[4-(1,3-thiazol-2-yloxy)phenyl]-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine.
What is the SMILES notation for N-[4-(1,3-thiazol-2-yloxy)phenyl]-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine?
The canonical SMILES for N-[4-(1,3-thiazol-2-yloxy)phenyl]-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine is c1csc(Oc2ccc(Nc3ncnc4ccc5c(c34)OCCN5)cc2)n1.
What is the InChIKey of N-[4-(1,3-thiazol-2-yloxy)phenyl]-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine?
The InChIKey is KHMMJNGZPVMBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2S/c1-3-13(26-19-21-8-10-27-19)4-2-12(1)24-18-16-14(22-11-23-18)5-6-15-17(16)25-9-7-20-15/h1-6,8,10-11,20H,7,9H2,(H,22,23,24).
What are the key properties of N-[4-(1,3-thiazol-2-yloxy)phenyl]-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine?
N-[4-(1,3-thiazol-2-yloxy)phenyl]-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine has a molecular weight of 377.43 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-thiazol-2-yloxy)phenyl]-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine is sourced from PubChem (CID 155756021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).