2-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one

C15H17N5O — CID 62670893

IUPAC2-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC(Cn1cccn1)NCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C15H17N5O/c1-12(11-19-7-4-6-17-19)16-10-13-9-15(21)20-8-3-2-5-14(20)18-13/h2-9,12,16H,10-11H2,1H3
InChIKeyIUCXTXJODMYDRW-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.07
Rot. Bonds5

About 2-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one

2-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 62670893) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID62670893
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name2-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC(Cn1cccn1)NCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C15H17N5O/c1-12(11-19-7-4-6-17-19)16-10-13-9-15(21)20-8-3-2-5-14(20)18-13/h2-9,12,16H,10-11H2,1H3
InChIKeyIUCXTXJODMYDRW-UHFFFAOYSA-N
XLogP1.07
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 62670893) is 2-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one is CC(Cn1cccn1)NCc1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is IUCXTXJODMYDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-12(11-19-7-4-6-17-19)16-10-13-9-15(21)20-8-3-2-5-14(20)18-13/h2-9,12,16H,10-11H2,1H3.
What are the key properties of 2-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 283.33 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 62670893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).