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

C9H14N4O — CID 173397349

IUPAC6-(2-aminoethyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESNCCC1CNc2nc[nH]c(=O)c2C1
InChIInChI=1S/C9H14N4O/c10-2-1-6-3-7-8(11-4-6)12-5-13-9(7)14/h5-6H,1-4,10H2,(H2,11,12,13,14)
InChIKeyDPTWMUQVDUJRRY-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.30
Rot. Bonds2

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

6-(2-aminoethyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 173397349) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 6-(2-aminoethyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(2-aminoethyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID173397349
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name6-(2-aminoethyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESNCCC1CNc2nc[nH]c(=O)c2C1
InChIInChI=1S/C9H14N4O/c10-2-1-6-3-7-8(11-4-6)12-5-13-9(7)14/h5-6H,1-4,10H2,(H2,11,12,13,14)
InChIKeyDPTWMUQVDUJRRY-UHFFFAOYSA-N
XLogP-0.30
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 ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-(2-aminoethyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one (CID 173397349) is 6-(2-aminoethyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-(2-aminoethyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-(2-aminoethyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one is NCCC1CNc2nc[nH]c(=O)c2C1.
What is the InChIKey of 6-(2-aminoethyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is DPTWMUQVDUJRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c10-2-1-6-3-7-8(11-4-6)12-5-13-9(7)14/h5-6H,1-4,10H2,(H2,11,12,13,14).
What are the key properties of 6-(2-aminoethyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
6-(2-aminoethyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 194.24 g/mol, XLogP of -0.30, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 173397349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).