7-methyl-2-morpholin-4-yl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one

C13H20N4O2 — CID 136880723

IUPAC7-methyl-2-morpholin-4-yl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
SMILESCN1CCc2nc(N3CCOCC3)[nH]c(=O)c2CC1
InChIInChI=1S/C13H20N4O2/c1-16-4-2-10-11(3-5-16)14-13(15-12(10)18)17-6-8-19-9-7-17/h2-9H2,1H3,(H,14,15,18)
InChIKeyUAEKEBSKKWHFEO-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.36
Rot. Bonds1

About 7-methyl-2-morpholin-4-yl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one

7-methyl-2-morpholin-4-yl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one (PubChem CID 136880723) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 7-methyl-2-morpholin-4-yl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one.

Molecular Properties

Compound Name7-methyl-2-morpholin-4-yl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
PubChem CID136880723
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name7-methyl-2-morpholin-4-yl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
SMILESCN1CCc2nc(N3CCOCC3)[nH]c(=O)c2CC1
InChIInChI=1S/C13H20N4O2/c1-16-4-2-10-11(3-5-16)14-13(15-12(10)18)17-6-8-19-9-7-17/h2-9H2,1H3,(H,14,15,18)
InChIKeyUAEKEBSKKWHFEO-UHFFFAOYSA-N
XLogP-0.36
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-morpholin-4-yl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one?
The IUPAC name of 7-methyl-2-morpholin-4-yl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one (CID 136880723) is 7-methyl-2-morpholin-4-yl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one.
What is the SMILES notation for 7-methyl-2-morpholin-4-yl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one?
The canonical SMILES for 7-methyl-2-morpholin-4-yl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one is CN1CCc2nc(N3CCOCC3)[nH]c(=O)c2CC1.
What is the InChIKey of 7-methyl-2-morpholin-4-yl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one?
The InChIKey is UAEKEBSKKWHFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-16-4-2-10-11(3-5-16)14-13(15-12(10)18)17-6-8-19-9-7-17/h2-9H2,1H3,(H,14,15,18).
What are the key properties of 7-methyl-2-morpholin-4-yl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one?
7-methyl-2-morpholin-4-yl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one has a molecular weight of 264.33 g/mol, XLogP of -0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-morpholin-4-yl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one is sourced from PubChem (CID 136880723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).