2-(1H-indol-4-yl)-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazine

C14H12N4O — CID 175863331

IUPAC2-(1H-indol-4-yl)-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazine
SMILESc1cc(-c2ncc3c(n2)NCCO3)c2cc[nH]c2c1
InChIInChI=1S/C14H12N4O/c1-2-10(9-4-5-15-11(9)3-1)13-17-8-12-14(18-13)16-6-7-19-12/h1-5,8,15H,6-7H2,(H,16,17,18)
InChIKeyNPQYTZNYGRSXDB-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.43
Rot. Bonds1

About 2-(1H-indol-4-yl)-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazine

2-(1H-indol-4-yl)-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazine (PubChem CID 175863331) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-(1H-indol-4-yl)-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazine.

Molecular Properties

Compound Name2-(1H-indol-4-yl)-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazine
PubChem CID175863331
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name2-(1H-indol-4-yl)-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazine
SMILESc1cc(-c2ncc3c(n2)NCCO3)c2cc[nH]c2c1
InChIInChI=1S/C14H12N4O/c1-2-10(9-4-5-15-11(9)3-1)13-17-8-12-14(18-13)16-6-7-19-12/h1-5,8,15H,6-7H2,(H,16,17,18)
InChIKeyNPQYTZNYGRSXDB-UHFFFAOYSA-N
XLogP2.43
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-4-yl)-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazine?
The IUPAC name of 2-(1H-indol-4-yl)-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazine (CID 175863331) is 2-(1H-indol-4-yl)-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazine.
What is the SMILES notation for 2-(1H-indol-4-yl)-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazine?
The canonical SMILES for 2-(1H-indol-4-yl)-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazine is c1cc(-c2ncc3c(n2)NCCO3)c2cc[nH]c2c1.
What is the InChIKey of 2-(1H-indol-4-yl)-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazine?
The InChIKey is NPQYTZNYGRSXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-2-10(9-4-5-15-11(9)3-1)13-17-8-12-14(18-13)16-6-7-19-12/h1-5,8,15H,6-7H2,(H,16,17,18).
What are the key properties of 2-(1H-indol-4-yl)-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazine?
2-(1H-indol-4-yl)-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazine has a molecular weight of 252.28 g/mol, XLogP of 2.43, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-4-yl)-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazine is sourced from PubChem (CID 175863331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).