4-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one

C9H14N4O — CID 83862606

IUPAC4-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one
SMILESCNCc1nc(=O)[nH]c2c1CCNC2
InChIInChI=1S/C9H14N4O/c1-10-4-7-6-2-3-11-5-8(6)13-9(14)12-7/h10-11H,2-5H2,1H3,(H,12,13,14)
InChIKeyPWQTXPABAUKZEW-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.87
Rot. Bonds2

About 4-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one

4-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one (PubChem CID 83862606) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 4-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one
PubChem CID83862606
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name4-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one
SMILESCNCc1nc(=O)[nH]c2c1CCNC2
InChIInChI=1S/C9H14N4O/c1-10-4-7-6-2-3-11-5-8(6)13-9(14)12-7/h10-11H,2-5H2,1H3,(H,12,13,14)
InChIKeyPWQTXPABAUKZEW-UHFFFAOYSA-N
XLogP-0.87
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one?
The IUPAC name of 4-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one (CID 83862606) is 4-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one.
What is the SMILES notation for 4-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one?
The canonical SMILES for 4-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one is CNCc1nc(=O)[nH]c2c1CCNC2.
What is the InChIKey of 4-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one?
The InChIKey is PWQTXPABAUKZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-10-4-7-6-2-3-11-5-8(6)13-9(14)12-7/h10-11H,2-5H2,1H3,(H,12,13,14).
What are the key properties of 4-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one?
4-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one has a molecular weight of 194.24 g/mol, XLogP of -0.87, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one is sourced from PubChem (CID 83862606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).