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

C9H14N4O — CID 83862600

IUPAC4-(2-aminoethyl)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one
SMILESNCCc1nc(=O)[nH]c2c1CCNC2
InChIInChI=1S/C9H14N4O/c10-3-1-7-6-2-4-11-5-8(6)13-9(14)12-7/h11H,1-5,10H2,(H,12,13,14)
InChIKeyKNYVEPSZCOVHNQ-UHFFFAOYSA-N
MW194.24 g/mol
LogP-1.08
Rot. Bonds2

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

4-(2-aminoethyl)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one (PubChem CID 83862600) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 4-(2-aminoethyl)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one
PubChem CID83862600
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name4-(2-aminoethyl)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one
SMILESNCCc1nc(=O)[nH]c2c1CCNC2
InChIInChI=1S/C9H14N4O/c10-3-1-7-6-2-4-11-5-8(6)13-9(14)12-7/h11H,1-5,10H2,(H,12,13,14)
InChIKeyKNYVEPSZCOVHNQ-UHFFFAOYSA-N
XLogP-1.08
TPSA83.80 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 ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one?
The IUPAC name of 4-(2-aminoethyl)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one (CID 83862600) is 4-(2-aminoethyl)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one.
What is the SMILES notation for 4-(2-aminoethyl)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one?
The canonical SMILES for 4-(2-aminoethyl)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one is NCCc1nc(=O)[nH]c2c1CCNC2.
What is the InChIKey of 4-(2-aminoethyl)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one?
The InChIKey is KNYVEPSZCOVHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c10-3-1-7-6-2-4-11-5-8(6)13-9(14)12-7/h11H,1-5,10H2,(H,12,13,14).
What are the key properties of 4-(2-aminoethyl)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one?
4-(2-aminoethyl)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one has a molecular weight of 194.24 g/mol, XLogP of -1.08, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one is sourced from PubChem (CID 83862600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).