4-cyclopentyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one

C13H15IN4O — CID 137005328

IUPAC4-cyclopentyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
SMILESCn1nccc1-c1nc(C2CCCC2)c(I)c(=O)[nH]1
InChIInChI=1S/C13H15IN4O/c1-18-9(6-7-15-18)12-16-11(8-4-2-3-5-8)10(14)13(19)17-12/h6-8H,2-5H2,1H3,(H,16,17,19)
InChIKeyBHKILPNPCJEHGA-UHFFFAOYSA-N
MW370.19 g/mol
LogP2.43
Rot. Bonds2

About 4-cyclopentyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one

4-cyclopentyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one (PubChem CID 137005328) has the molecular formula C13H15IN4O and a molecular weight of 370.19 g/mol. Its IUPAC name is 4-cyclopentyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopentyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
PubChem CID137005328
Molecular FormulaC13H15IN4O
Molecular Weight370.19 g/mol
Exact Mass370.03
IUPAC Name4-cyclopentyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
SMILESCn1nccc1-c1nc(C2CCCC2)c(I)c(=O)[nH]1
InChIInChI=1S/C13H15IN4O/c1-18-9(6-7-15-18)12-16-11(8-4-2-3-5-8)10(14)13(19)17-12/h6-8H,2-5H2,1H3,(H,16,17,19)
InChIKeyBHKILPNPCJEHGA-UHFFFAOYSA-N
XLogP2.43
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.19
LogP ≤ 52.43
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-cyclopropyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137005324
4-cyclopentyl-5-iodo-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136729854
4-cyclopentyl-5-iodo-2-(2-methylphenyl)-1H-pyrimidin-6-one
CID 136729850
4-cyclopentyl-2-(4,5-dibromothiophen-2-yl)-5-iodo-1H-pyrimidin-6-one
CID 136683130
5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 114553934
5-fluoro-4-methyl-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137005312
2-(3-bromo-4-fluorophenyl)-4-cyclopentyl-5-iodo-1H-pyrimidin-6-one
CID 136729890
2-(3-bromo-4-chlorophenyl)-4-cyclopentyl-5-iodo-1H-pyrimidin-6-one
CID 136729773
2-(4-bromothiophen-2-yl)-4-cyclopentyl-5-iodo-1H-pyrimidin-6-one
CID 136729880
1-methyl-5-(2-methylpyrazol-3-yl)-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135623940
5-bromo-6-cyclopentyl-2-(2-methylpyrazol-3-yl)pyrimidin-4-amine
CID 114554404
2-(3-bromo-2-pyridinyl)-4-cyclopropyl-5-iodo-1H-pyrimidin-6-one
CID 136999478

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopentyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one (CID 137005328) is 4-cyclopentyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopentyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopentyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one is Cn1nccc1-c1nc(C2CCCC2)c(I)c(=O)[nH]1.
What is the InChIKey of 4-cyclopentyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
The InChIKey is BHKILPNPCJEHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15IN4O/c1-18-9(6-7-15-18)12-16-11(8-4-2-3-5-8)10(14)13(19)17-12/h6-8H,2-5H2,1H3,(H,16,17,19).
What are the key properties of 4-cyclopentyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
4-cyclopentyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one has a molecular weight of 370.19 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137005328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).