2-amino-7-ethyl-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one

C9H14N4O — CID 136927073

IUPAC2-amino-7-ethyl-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESCCC1Cc2nc(N)[nH]c(=O)c2CN1
InChIInChI=1S/C9H14N4O/c1-2-5-3-7-6(4-11-5)8(14)13-9(10)12-7/h5,11H,2-4H2,1H3,(H3,10,12,13,14)
InChIKeyKESHJOUXZPUGRU-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.22
Rot. Bonds1

About 2-amino-7-ethyl-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one

2-amino-7-ethyl-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 136927073) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-amino-7-ethyl-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-7-ethyl-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
PubChem CID136927073
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name2-amino-7-ethyl-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESCCC1Cc2nc(N)[nH]c(=O)c2CN1
InChIInChI=1S/C9H14N4O/c1-2-5-3-7-6(4-11-5)8(14)13-9(10)12-7/h5,11H,2-4H2,1H3,(H3,10,12,13,14)
InChIKeyKESHJOUXZPUGRU-UHFFFAOYSA-N
XLogP-0.22
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-ethyl-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-7-ethyl-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one (CID 136927073) is 2-amino-7-ethyl-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-7-ethyl-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-7-ethyl-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one is CCC1Cc2nc(N)[nH]c(=O)c2CN1.
What is the InChIKey of 2-amino-7-ethyl-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is KESHJOUXZPUGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-2-5-3-7-6(4-11-5)8(14)13-9(10)12-7/h5,11H,2-4H2,1H3,(H3,10,12,13,14).
What are the key properties of 2-amino-7-ethyl-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
2-amino-7-ethyl-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 194.24 g/mol, XLogP of -0.22, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-ethyl-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136927073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).