5-iodo-4-(2-methylpropyl)-2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one

C14H19IN4O — CID 136677186

IUPAC5-iodo-4-(2-methylpropyl)-2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCCCn1cc(-c2nc(CC(C)C)c(I)c(=O)[nH]2)cn1
InChIInChI=1S/C14H19IN4O/c1-4-5-19-8-10(7-16-19)13-17-11(6-9(2)3)12(15)14(20)18-13/h7-9H,4-6H2,1-3H3,(H,17,18,20)
InChIKeyIITQZOXMGYGLMZ-UHFFFAOYSA-N
MW386.24 g/mol
LogP2.85
Rot. Bonds5

About 5-iodo-4-(2-methylpropyl)-2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one

5-iodo-4-(2-methylpropyl)-2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one (PubChem CID 136677186) has the molecular formula C14H19IN4O and a molecular weight of 386.24 g/mol. Its IUPAC name is 5-iodo-4-(2-methylpropyl)-2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-(2-methylpropyl)-2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one
PubChem CID136677186
Molecular FormulaC14H19IN4O
Molecular Weight386.24 g/mol
Exact Mass386.06
IUPAC Name5-iodo-4-(2-methylpropyl)-2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCCCn1cc(-c2nc(CC(C)C)c(I)c(=O)[nH]2)cn1
InChIInChI=1S/C14H19IN4O/c1-4-5-19-8-10(7-16-19)13-17-11(6-9(2)3)12(15)14(20)18-13/h7-9H,4-6H2,1-3H3,(H,17,18,20)
InChIKeyIITQZOXMGYGLMZ-UHFFFAOYSA-N
XLogP2.85
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.24
LogP ≤ 52.85
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

4-(2-methylpropyl)-2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136677185
2-(1-propylpyrazol-4-yl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
CID 136677188
2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 95732712
8-[1-(2-hydroxyethyl)pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione
CID 22266739
2-propyl-4-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136692313
6-ethyl-5-iodo-N-methyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 103573035
N,6-diethyl-5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 103573036
N-ethyl-5-iodo-6-propyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 103573026
4-(chloromethyl)-2-[1-(2-methylpropyl)pyrazol-4-yl]-1H-pyrimidin-6-one
CID 136713380
2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)pyrazol-1-yl]acetyl chloride
CID 57429672
4,6-dichloro-5-propan-2-yl-2-(1-propylpyrazol-4-yl)pyrimidine
CID 103572455
5-bromo-2-(1-ethylpyrazol-4-yl)-4-phenyl-1H-pyrimidin-6-one
CID 136677135

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-(2-methylpropyl)-2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-(2-methylpropyl)-2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one (CID 136677186) is 5-iodo-4-(2-methylpropyl)-2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-(2-methylpropyl)-2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-(2-methylpropyl)-2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one is CCCn1cc(-c2nc(CC(C)C)c(I)c(=O)[nH]2)cn1.
What is the InChIKey of 5-iodo-4-(2-methylpropyl)-2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one?
The InChIKey is IITQZOXMGYGLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN4O/c1-4-5-19-8-10(7-16-19)13-17-11(6-9(2)3)12(15)14(20)18-13/h7-9H,4-6H2,1-3H3,(H,17,18,20).
What are the key properties of 5-iodo-4-(2-methylpropyl)-2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one?
5-iodo-4-(2-methylpropyl)-2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one has a molecular weight of 386.24 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-(2-methylpropyl)-2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136677186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).