2-(cyclopropylmethylamino)-3-nitropyrido[1,2-a]pyrimidin-4-one

C12H12N4O3 — CID 47151503

IUPAC2-(cyclopropylmethylamino)-3-nitropyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c([N+](=O)[O-])c(NCC2CC2)nc2ccccn12
InChIInChI=1S/C12H12N4O3/c17-12-10(16(18)19)11(13-7-8-4-5-8)14-9-3-1-2-6-15(9)12/h1-3,6,8,13H,4-5,7H2
InChIKeyWXKNBHVGLDDQGK-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.42
Rot. Bonds4

About 2-(cyclopropylmethylamino)-3-nitropyrido[1,2-a]pyrimidin-4-one

2-(cyclopropylmethylamino)-3-nitropyrido[1,2-a]pyrimidin-4-one (PubChem CID 47151503) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-3-nitropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-3-nitropyrido[1,2-a]pyrimidin-4-one
PubChem CID47151503
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name2-(cyclopropylmethylamino)-3-nitropyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c([N+](=O)[O-])c(NCC2CC2)nc2ccccn12
InChIInChI=1S/C12H12N4O3/c17-12-10(16(18)19)11(13-7-8-4-5-8)14-9-3-1-2-6-15(9)12/h1-3,6,8,13H,4-5,7H2
InChIKeyWXKNBHVGLDDQGK-UHFFFAOYSA-N
XLogP1.42
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-3-nitropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(cyclopropylmethylamino)-3-nitropyrido[1,2-a]pyrimidin-4-one (CID 47151503) is 2-(cyclopropylmethylamino)-3-nitropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(cyclopropylmethylamino)-3-nitropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(cyclopropylmethylamino)-3-nitropyrido[1,2-a]pyrimidin-4-one is O=c1c([N+](=O)[O-])c(NCC2CC2)nc2ccccn12.
What is the InChIKey of 2-(cyclopropylmethylamino)-3-nitropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is WXKNBHVGLDDQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c17-12-10(16(18)19)11(13-7-8-4-5-8)14-9-3-1-2-6-15(9)12/h1-3,6,8,13H,4-5,7H2.
What are the key properties of 2-(cyclopropylmethylamino)-3-nitropyrido[1,2-a]pyrimidin-4-one?
2-(cyclopropylmethylamino)-3-nitropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 260.25 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-3-nitropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 47151503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).