7-[[2-(2,6-dimethylmorpholin-4-yl)pyrimidin-5-yl]amino]-4-methyl-1,4-benzoxazin-3-one

C19H23N5O3 — CID 167300197

IUPAC7-[[2-(2,6-dimethylmorpholin-4-yl)pyrimidin-5-yl]amino]-4-methyl-1,4-benzoxazin-3-one
SMILESCC1CN(c2ncc(Nc3ccc4c(c3)OCC(=O)N4C)cn2)CC(C)O1
InChIInChI=1S/C19H23N5O3/c1-12-9-24(10-13(2)27-12)19-20-7-15(8-21-19)22-14-4-5-16-17(6-14)26-11-18(25)23(16)3/h4-8,12-13,22H,9-11H2,1-3H3
InChIKeyRRWQBIADMSEIEV-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.19
Rot. Bonds3

About 7-[[2-(2,6-dimethylmorpholin-4-yl)pyrimidin-5-yl]amino]-4-methyl-1,4-benzoxazin-3-one

7-[[2-(2,6-dimethylmorpholin-4-yl)pyrimidin-5-yl]amino]-4-methyl-1,4-benzoxazin-3-one (PubChem CID 167300197) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 7-[[2-(2,6-dimethylmorpholin-4-yl)pyrimidin-5-yl]amino]-4-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-[[2-(2,6-dimethylmorpholin-4-yl)pyrimidin-5-yl]amino]-4-methyl-1,4-benzoxazin-3-one
PubChem CID167300197
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name7-[[2-(2,6-dimethylmorpholin-4-yl)pyrimidin-5-yl]amino]-4-methyl-1,4-benzoxazin-3-one
SMILESCC1CN(c2ncc(Nc3ccc4c(c3)OCC(=O)N4C)cn2)CC(C)O1
InChIInChI=1S/C19H23N5O3/c1-12-9-24(10-13(2)27-12)19-20-7-15(8-21-19)22-14-4-5-16-17(6-14)26-11-18(25)23(16)3/h4-8,12-13,22H,9-11H2,1-3H3
InChIKeyRRWQBIADMSEIEV-UHFFFAOYSA-N
XLogP2.19
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[2-(2,6-dimethylmorpholin-4-yl)pyrimidin-5-yl]amino]-4-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 7-[[2-(2,6-dimethylmorpholin-4-yl)pyrimidin-5-yl]amino]-4-methyl-1,4-benzoxazin-3-one (CID 167300197) is 7-[[2-(2,6-dimethylmorpholin-4-yl)pyrimidin-5-yl]amino]-4-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-[[2-(2,6-dimethylmorpholin-4-yl)pyrimidin-5-yl]amino]-4-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 7-[[2-(2,6-dimethylmorpholin-4-yl)pyrimidin-5-yl]amino]-4-methyl-1,4-benzoxazin-3-one is CC1CN(c2ncc(Nc3ccc4c(c3)OCC(=O)N4C)cn2)CC(C)O1.
What is the InChIKey of 7-[[2-(2,6-dimethylmorpholin-4-yl)pyrimidin-5-yl]amino]-4-methyl-1,4-benzoxazin-3-one?
The InChIKey is RRWQBIADMSEIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-12-9-24(10-13(2)27-12)19-20-7-15(8-21-19)22-14-4-5-16-17(6-14)26-11-18(25)23(16)3/h4-8,12-13,22H,9-11H2,1-3H3.
What are the key properties of 7-[[2-(2,6-dimethylmorpholin-4-yl)pyrimidin-5-yl]amino]-4-methyl-1,4-benzoxazin-3-one?
7-[[2-(2,6-dimethylmorpholin-4-yl)pyrimidin-5-yl]amino]-4-methyl-1,4-benzoxazin-3-one has a molecular weight of 369.43 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(2,6-dimethylmorpholin-4-yl)pyrimidin-5-yl]amino]-4-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 167300197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).