4-(2,6-dicyclopropylpyrimidin-4-yl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine

C18H20N4O — CID 138022843

IUPAC4-(2,6-dicyclopropylpyrimidin-4-yl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine
SMILESc1cnc2c(c1)CN(c1cc(C3CC3)nc(C3CC3)n1)CCO2
InChIInChI=1S/C18H20N4O/c1-2-14-11-22(8-9-23-18(14)19-7-1)16-10-15(12-3-4-12)20-17(21-16)13-5-6-13/h1-2,7,10,12-13H,3-6,8-9,11H2
InChIKeyBFVGRBKFQKGAFG-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.03
Rot. Bonds3

About 4-(2,6-dicyclopropylpyrimidin-4-yl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine

4-(2,6-dicyclopropylpyrimidin-4-yl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine (PubChem CID 138022843) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-(2,6-dicyclopropylpyrimidin-4-yl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine.

Molecular Properties

Compound Name4-(2,6-dicyclopropylpyrimidin-4-yl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine
PubChem CID138022843
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name4-(2,6-dicyclopropylpyrimidin-4-yl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine
SMILESc1cnc2c(c1)CN(c1cc(C3CC3)nc(C3CC3)n1)CCO2
InChIInChI=1S/C18H20N4O/c1-2-14-11-22(8-9-23-18(14)19-7-1)16-10-15(12-3-4-12)20-17(21-16)13-5-6-13/h1-2,7,10,12-13H,3-6,8-9,11H2
InChIKeyBFVGRBKFQKGAFG-UHFFFAOYSA-N
XLogP3.03
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(2,6-dicyclopropylpyrimidin-4-yl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dicyclopropylpyrimidin-4-yl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine?
The IUPAC name of 4-(2,6-dicyclopropylpyrimidin-4-yl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine (CID 138022843) is 4-(2,6-dicyclopropylpyrimidin-4-yl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine.
What is the SMILES notation for 4-(2,6-dicyclopropylpyrimidin-4-yl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine?
The canonical SMILES for 4-(2,6-dicyclopropylpyrimidin-4-yl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine is c1cnc2c(c1)CN(c1cc(C3CC3)nc(C3CC3)n1)CCO2.
What is the InChIKey of 4-(2,6-dicyclopropylpyrimidin-4-yl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine?
The InChIKey is BFVGRBKFQKGAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-2-14-11-22(8-9-23-18(14)19-7-1)16-10-15(12-3-4-12)20-17(21-16)13-5-6-13/h1-2,7,10,12-13H,3-6,8-9,11H2.
What are the key properties of 4-(2,6-dicyclopropylpyrimidin-4-yl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine?
4-(2,6-dicyclopropylpyrimidin-4-yl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine has a molecular weight of 308.38 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dicyclopropylpyrimidin-4-yl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine is sourced from PubChem (CID 138022843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).