6-chloro-5-iodo-3-(2-piperidin-1-ylethyl)pyrimidin-4-one

C11H15ClIN3O — CID 114583830

IUPAC6-chloro-5-iodo-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
SMILESO=c1c(I)c(Cl)ncn1CCN1CCCCC1
InChIInChI=1S/C11H15ClIN3O/c12-10-9(13)11(17)16(8-14-10)7-6-15-4-2-1-3-5-15/h8H,1-7H2
InChIKeyCQIRYTWVBVGBFC-UHFFFAOYSA-N
MW367.62 g/mol
LogP1.99
Rot. Bonds3

About 6-chloro-5-iodo-3-(2-piperidin-1-ylethyl)pyrimidin-4-one

6-chloro-5-iodo-3-(2-piperidin-1-ylethyl)pyrimidin-4-one (PubChem CID 114583830) has the molecular formula C11H15ClIN3O and a molecular weight of 367.62 g/mol. Its IUPAC name is 6-chloro-5-iodo-3-(2-piperidin-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-5-iodo-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
PubChem CID114583830
Molecular FormulaC11H15ClIN3O
Molecular Weight367.62 g/mol
Exact Mass366.99
IUPAC Name6-chloro-5-iodo-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
SMILESO=c1c(I)c(Cl)ncn1CCN1CCCCC1
InChIInChI=1S/C11H15ClIN3O/c12-10-9(13)11(17)16(8-14-10)7-6-15-4-2-1-3-5-15/h8H,1-7H2
InChIKeyCQIRYTWVBVGBFC-UHFFFAOYSA-N
XLogP1.99
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.62
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-3-(2-cyclopropylethyl)-5-iodopyrimidin-4-one
CID 114584058
6-chloro-3-[2-(dimethylamino)ethyl]-5-iodopyrimidin-4-one
CID 114584064
6-chloro-3-(3-imidazol-1-ylpropyl)-5-iodopyrimidin-4-one
CID 114584039
3-(2-piperidin-1-ylethyl)pyrido[3,4-d]pyrimidin-4-one
CID 99841378
6-chloro-5-iodo-3-[(1-methyltriazol-4-yl)methyl]pyrimidin-4-one
CID 107052072
3-chloro-1-(3-pyrrolidin-1-ylpropyl)pyrazin-2-one
CID 114561830
3-[(5-bromofuran-2-yl)methyl]-6-chloro-5-iodopyrimidin-4-one
CID 114583838
6-chloro-3-[(3-chloro-4-pyridinyl)methyl]-5-iodopyrimidin-4-one
CID 114583947
2,6-dichloro-9-(2-pyrrolidin-1-ylethyl)purine
CID 24904110
6-chloro-3-[(2-chloro-6-fluorophenyl)methyl]-5-iodopyrimidin-4-one
CID 114584062
6-chloro-3-(furan-3-ylmethyl)-5-iodopyrimidin-4-one
CID 114584111
6-chloro-3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-5-iodopyrimidin-4-one
CID 114583850

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-iodo-3-(2-piperidin-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-5-iodo-3-(2-piperidin-1-ylethyl)pyrimidin-4-one (CID 114583830) is 6-chloro-5-iodo-3-(2-piperidin-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-5-iodo-3-(2-piperidin-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-5-iodo-3-(2-piperidin-1-ylethyl)pyrimidin-4-one is O=c1c(I)c(Cl)ncn1CCN1CCCCC1.
What is the InChIKey of 6-chloro-5-iodo-3-(2-piperidin-1-ylethyl)pyrimidin-4-one?
The InChIKey is CQIRYTWVBVGBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClIN3O/c12-10-9(13)11(17)16(8-14-10)7-6-15-4-2-1-3-5-15/h8H,1-7H2.
What are the key properties of 6-chloro-5-iodo-3-(2-piperidin-1-ylethyl)pyrimidin-4-one?
6-chloro-5-iodo-3-(2-piperidin-1-ylethyl)pyrimidin-4-one has a molecular weight of 367.62 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-iodo-3-(2-piperidin-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 114583830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).