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

C10H16N4O — CID 83862604

IUPAC7-methyl-4-(methylaminomethyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one
SMILESCNCc1nc(=O)[nH]c2c1CCN(C)C2
InChIInChI=1S/C10H16N4O/c1-11-5-8-7-3-4-14(2)6-9(7)13-10(15)12-8/h11H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyMSGQQQPMKGUZMZ-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.52
Rot. Bonds2

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

7-methyl-4-(methylaminomethyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one (PubChem CID 83862604) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 7-methyl-4-(methylaminomethyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one.

Molecular Properties

Compound Name7-methyl-4-(methylaminomethyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one
PubChem CID83862604
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name7-methyl-4-(methylaminomethyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one
SMILESCNCc1nc(=O)[nH]c2c1CCN(C)C2
InChIInChI=1S/C10H16N4O/c1-11-5-8-7-3-4-14(2)6-9(7)13-10(15)12-8/h11H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyMSGQQQPMKGUZMZ-UHFFFAOYSA-N
XLogP-0.52
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-(methylaminomethyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one?
The IUPAC name of 7-methyl-4-(methylaminomethyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one (CID 83862604) is 7-methyl-4-(methylaminomethyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one.
What is the SMILES notation for 7-methyl-4-(methylaminomethyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one?
The canonical SMILES for 7-methyl-4-(methylaminomethyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one is CNCc1nc(=O)[nH]c2c1CCN(C)C2.
What is the InChIKey of 7-methyl-4-(methylaminomethyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one?
The InChIKey is MSGQQQPMKGUZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-11-5-8-7-3-4-14(2)6-9(7)13-10(15)12-8/h11H,3-6H2,1-2H3,(H,12,13,15).
What are the key properties of 7-methyl-4-(methylaminomethyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one?
7-methyl-4-(methylaminomethyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one has a molecular weight of 208.26 g/mol, XLogP of -0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-(methylaminomethyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one is sourced from PubChem (CID 83862604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).