7-methyl-4-(methylamino)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one

C9H14N4O — CID 83862592

IUPAC7-methyl-4-(methylamino)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one
SMILESCNc1nc(=O)[nH]c2c1CCN(C)C2
InChIInChI=1S/C9H14N4O/c1-10-8-6-3-4-13(2)5-7(6)11-9(14)12-8/h3-5H2,1-2H3,(H2,10,11,12,14)
InChIKeyBEKSERVRQRKHGK-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.20
Rot. Bonds1

About 7-methyl-4-(methylamino)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one

7-methyl-4-(methylamino)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one (PubChem CID 83862592) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 7-methyl-4-(methylamino)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one.

Molecular Properties

Compound Name7-methyl-4-(methylamino)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one
PubChem CID83862592
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name7-methyl-4-(methylamino)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one
SMILESCNc1nc(=O)[nH]c2c1CCN(C)C2
InChIInChI=1S/C9H14N4O/c1-10-8-6-3-4-13(2)5-7(6)11-9(14)12-8/h3-5H2,1-2H3,(H2,10,11,12,14)
InChIKeyBEKSERVRQRKHGK-UHFFFAOYSA-N
XLogP-0.20
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-(methylamino)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one?
The IUPAC name of 7-methyl-4-(methylamino)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one (CID 83862592) is 7-methyl-4-(methylamino)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one.
What is the SMILES notation for 7-methyl-4-(methylamino)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one?
The canonical SMILES for 7-methyl-4-(methylamino)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one is CNc1nc(=O)[nH]c2c1CCN(C)C2.
What is the InChIKey of 7-methyl-4-(methylamino)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one?
The InChIKey is BEKSERVRQRKHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-10-8-6-3-4-13(2)5-7(6)11-9(14)12-8/h3-5H2,1-2H3,(H2,10,11,12,14).
What are the key properties of 7-methyl-4-(methylamino)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one?
7-methyl-4-(methylamino)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one has a molecular weight of 194.24 g/mol, XLogP of -0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-(methylamino)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one is sourced from PubChem (CID 83862592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).