3-amino-2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

C8H11N3O2 — CID 155420840

IUPAC3-amino-2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESNc1c(O)nc2n(c1=O)CCCC2
InChIInChI=1S/C8H11N3O2/c9-6-7(12)10-5-3-1-2-4-11(5)8(6)13/h12H,1-4,9H2
InChIKeyRDSHTFIYYLWTHY-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.13
Rot. Bonds

About 3-amino-2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

3-amino-2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 155420840) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 3-amino-2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-amino-2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID155420840
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name3-amino-2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESNc1c(O)nc2n(c1=O)CCCC2
InChIInChI=1S/C8H11N3O2/c9-6-7(12)10-5-3-1-2-4-11(5)8(6)13/h12H,1-4,9H2
InChIKeyRDSHTFIYYLWTHY-UHFFFAOYSA-N
XLogP-0.13
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-amino-2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 155420840) is 3-amino-2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-amino-2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-amino-2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is Nc1c(O)nc2n(c1=O)CCCC2.
What is the InChIKey of 3-amino-2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RDSHTFIYYLWTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c9-6-7(12)10-5-3-1-2-4-11(5)8(6)13/h12H,1-4,9H2.
What are the key properties of 3-amino-2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
3-amino-2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 181.19 g/mol, XLogP of -0.13, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 155420840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).