6-methyl-2-morpholin-4-yl-7H-pyrimido[5,4-d]pyrimidin-8-one

C11H13N5O2 — CID 146197374

IUPAC6-methyl-2-morpholin-4-yl-7H-pyrimido[5,4-d]pyrimidin-8-one
SMILESCc1nc2cnc(N3CCOCC3)nc2c(=O)[nH]1
InChIInChI=1S/C11H13N5O2/c1-7-13-8-6-12-11(15-9(8)10(17)14-7)16-2-4-18-5-3-16/h6H,2-5H2,1H3,(H,13,14,17)
InChIKeyLHNOECGMXHQOMR-UHFFFAOYSA-N
MW247.26 g/mol
LogP-0.14
Rot. Bonds1

About 6-methyl-2-morpholin-4-yl-7H-pyrimido[5,4-d]pyrimidin-8-one

6-methyl-2-morpholin-4-yl-7H-pyrimido[5,4-d]pyrimidin-8-one (PubChem CID 146197374) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 6-methyl-2-morpholin-4-yl-7H-pyrimido[5,4-d]pyrimidin-8-one.

Molecular Properties

Compound Name6-methyl-2-morpholin-4-yl-7H-pyrimido[5,4-d]pyrimidin-8-one
PubChem CID146197374
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name6-methyl-2-morpholin-4-yl-7H-pyrimido[5,4-d]pyrimidin-8-one
SMILESCc1nc2cnc(N3CCOCC3)nc2c(=O)[nH]1
InChIInChI=1S/C11H13N5O2/c1-7-13-8-6-12-11(15-9(8)10(17)14-7)16-2-4-18-5-3-16/h6H,2-5H2,1H3,(H,13,14,17)
InChIKeyLHNOECGMXHQOMR-UHFFFAOYSA-N
XLogP-0.14
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-morpholin-4-yl-7H-pyrimido[5,4-d]pyrimidin-8-one?
The IUPAC name of 6-methyl-2-morpholin-4-yl-7H-pyrimido[5,4-d]pyrimidin-8-one (CID 146197374) is 6-methyl-2-morpholin-4-yl-7H-pyrimido[5,4-d]pyrimidin-8-one.
What is the SMILES notation for 6-methyl-2-morpholin-4-yl-7H-pyrimido[5,4-d]pyrimidin-8-one?
The canonical SMILES for 6-methyl-2-morpholin-4-yl-7H-pyrimido[5,4-d]pyrimidin-8-one is Cc1nc2cnc(N3CCOCC3)nc2c(=O)[nH]1.
What is the InChIKey of 6-methyl-2-morpholin-4-yl-7H-pyrimido[5,4-d]pyrimidin-8-one?
The InChIKey is LHNOECGMXHQOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-7-13-8-6-12-11(15-9(8)10(17)14-7)16-2-4-18-5-3-16/h6H,2-5H2,1H3,(H,13,14,17).
What are the key properties of 6-methyl-2-morpholin-4-yl-7H-pyrimido[5,4-d]pyrimidin-8-one?
6-methyl-2-morpholin-4-yl-7H-pyrimido[5,4-d]pyrimidin-8-one has a molecular weight of 247.26 g/mol, XLogP of -0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-morpholin-4-yl-7H-pyrimido[5,4-d]pyrimidin-8-one is sourced from PubChem (CID 146197374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).