2-cyclopropyl-4-(4-iodopyrazol-1-yl)-1H-pyrimidin-6-one

C10H9IN4O — CID 136979494

IUPAC2-cyclopropyl-4-(4-iodopyrazol-1-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(-n2cc(I)cn2)nc(C2CC2)[nH]1
InChIInChI=1S/C10H9IN4O/c11-7-4-12-15(5-7)8-3-9(16)14-10(13-8)6-1-2-6/h3-6H,1-2H2,(H,13,14,16)
InChIKeyNTEYTENVRPEUSG-UHFFFAOYSA-N
MW328.11 g/mol
LogP1.44
Rot. Bonds2

About 2-cyclopropyl-4-(4-iodopyrazol-1-yl)-1H-pyrimidin-6-one

2-cyclopropyl-4-(4-iodopyrazol-1-yl)-1H-pyrimidin-6-one (PubChem CID 136979494) has the molecular formula C10H9IN4O and a molecular weight of 328.11 g/mol. Its IUPAC name is 2-cyclopropyl-4-(4-iodopyrazol-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(4-iodopyrazol-1-yl)-1H-pyrimidin-6-one
PubChem CID136979494
Molecular FormulaC10H9IN4O
Molecular Weight328.11 g/mol
Exact Mass327.98
IUPAC Name2-cyclopropyl-4-(4-iodopyrazol-1-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(-n2cc(I)cn2)nc(C2CC2)[nH]1
InChIInChI=1S/C10H9IN4O/c11-7-4-12-15(5-7)8-3-9(16)14-10(13-8)6-1-2-6/h3-6H,1-2H2,(H,13,14,16)
InChIKeyNTEYTENVRPEUSG-UHFFFAOYSA-N
XLogP1.44
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.11
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-4-pyrazol-1-yl-1H-pyrimidin-6-one
CID 137013285
[2-cyclopropyl-6-(4-iodopyrazol-1-yl)pyrimidin-4-yl]hydrazine
CID 80968430
2-cyclopropyl-N-ethyl-6-(4-iodopyrazol-1-yl)pyrimidin-4-amine
CID 80966267
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-1,4-diazepan-5-one
CID 137009553
2-cyclopropyl-4-(2,6-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one
CID 137009710
2-cyclopropyl-4-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137258814
2-cyclopropyl-4-(3-oxopiperazin-1-yl)-1H-pyrimidin-6-one
CID 137008995
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide
CID 137008934
2-cyclopropyl-4-(4-methyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one
CID 136989892
2-cyclopropyl-4-(4-hydroxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136961769
2-cyclopropyl-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1H-pyrimidin-6-one
CID 137009633
2-cyclopropyl-4-(3-ethylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 137009930

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(4-iodopyrazol-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(4-iodopyrazol-1-yl)-1H-pyrimidin-6-one (CID 136979494) is 2-cyclopropyl-4-(4-iodopyrazol-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(4-iodopyrazol-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(4-iodopyrazol-1-yl)-1H-pyrimidin-6-one is O=c1cc(-n2cc(I)cn2)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-(4-iodopyrazol-1-yl)-1H-pyrimidin-6-one?
The InChIKey is NTEYTENVRPEUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN4O/c11-7-4-12-15(5-7)8-3-9(16)14-10(13-8)6-1-2-6/h3-6H,1-2H2,(H,13,14,16).
What are the key properties of 2-cyclopropyl-4-(4-iodopyrazol-1-yl)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(4-iodopyrazol-1-yl)-1H-pyrimidin-6-one has a molecular weight of 328.11 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(4-iodopyrazol-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136979494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).