2-methyl-6-morpholin-2-yl-3H-pyrido[4,3-d]pyrimidine-4,7-dione

C12H14N4O3 — CID 175574528

IUPAC2-methyl-6-morpholin-2-yl-3H-pyrido[4,3-d]pyrimidine-4,7-dione
SMILESCc1nc2cc(=O)n(C3CNCCO3)cc2c(=O)[nH]1
InChIInChI=1S/C12H14N4O3/c1-7-14-9-4-10(17)16(6-8(9)12(18)15-7)11-5-13-2-3-19-11/h4,6,11,13H,2-3,5H2,1H3,(H,14,15,18)
InChIKeyOCKKJKOWDNPMGD-UHFFFAOYSA-N
MW262.27 g/mol
LogP-0.49
Rot. Bonds1

About 2-methyl-6-morpholin-2-yl-3H-pyrido[4,3-d]pyrimidine-4,7-dione

2-methyl-6-morpholin-2-yl-3H-pyrido[4,3-d]pyrimidine-4,7-dione (PubChem CID 175574528) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-methyl-6-morpholin-2-yl-3H-pyrido[4,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name2-methyl-6-morpholin-2-yl-3H-pyrido[4,3-d]pyrimidine-4,7-dione
PubChem CID175574528
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name2-methyl-6-morpholin-2-yl-3H-pyrido[4,3-d]pyrimidine-4,7-dione
SMILESCc1nc2cc(=O)n(C3CNCCO3)cc2c(=O)[nH]1
InChIInChI=1S/C12H14N4O3/c1-7-14-9-4-10(17)16(6-8(9)12(18)15-7)11-5-13-2-3-19-11/h4,6,11,13H,2-3,5H2,1H3,(H,14,15,18)
InChIKeyOCKKJKOWDNPMGD-UHFFFAOYSA-N
XLogP-0.49
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-morpholin-2-yl-3H-pyrido[4,3-d]pyrimidine-4,7-dione?
The IUPAC name of 2-methyl-6-morpholin-2-yl-3H-pyrido[4,3-d]pyrimidine-4,7-dione (CID 175574528) is 2-methyl-6-morpholin-2-yl-3H-pyrido[4,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 2-methyl-6-morpholin-2-yl-3H-pyrido[4,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 2-methyl-6-morpholin-2-yl-3H-pyrido[4,3-d]pyrimidine-4,7-dione is Cc1nc2cc(=O)n(C3CNCCO3)cc2c(=O)[nH]1.
What is the InChIKey of 2-methyl-6-morpholin-2-yl-3H-pyrido[4,3-d]pyrimidine-4,7-dione?
The InChIKey is OCKKJKOWDNPMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-7-14-9-4-10(17)16(6-8(9)12(18)15-7)11-5-13-2-3-19-11/h4,6,11,13H,2-3,5H2,1H3,(H,14,15,18).
What are the key properties of 2-methyl-6-morpholin-2-yl-3H-pyrido[4,3-d]pyrimidine-4,7-dione?
2-methyl-6-morpholin-2-yl-3H-pyrido[4,3-d]pyrimidine-4,7-dione has a molecular weight of 262.27 g/mol, XLogP of -0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-morpholin-2-yl-3H-pyrido[4,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 175574528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).