5-iodo-2-(1-methoxy-3-methylcyclohexyl)-4-propyl-1H-pyrimidin-6-one

C15H23IN2O2 — CID 136963915

IUPAC5-iodo-2-(1-methoxy-3-methylcyclohexyl)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(C2(OC)CCCC(C)C2)[nH]c(=O)c1I
InChIInChI=1S/C15H23IN2O2/c1-4-6-11-12(16)13(19)18-14(17-11)15(20-3)8-5-7-10(2)9-15/h10H,4-9H2,1-3H3,(H,17,18,19)
InChIKeyJVGIRHCVMRJOEH-UHFFFAOYSA-N
MW390.27 g/mol
LogP3.38
Rot. Bonds4

About 5-iodo-2-(1-methoxy-3-methylcyclohexyl)-4-propyl-1H-pyrimidin-6-one

5-iodo-2-(1-methoxy-3-methylcyclohexyl)-4-propyl-1H-pyrimidin-6-one (PubChem CID 136963915) has the molecular formula C15H23IN2O2 and a molecular weight of 390.27 g/mol. Its IUPAC name is 5-iodo-2-(1-methoxy-3-methylcyclohexyl)-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-2-(1-methoxy-3-methylcyclohexyl)-4-propyl-1H-pyrimidin-6-one
PubChem CID136963915
Molecular FormulaC15H23IN2O2
Molecular Weight390.27 g/mol
Exact Mass390.08
IUPAC Name5-iodo-2-(1-methoxy-3-methylcyclohexyl)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(C2(OC)CCCC(C)C2)[nH]c(=O)c1I
InChIInChI=1S/C15H23IN2O2/c1-4-6-11-12(16)13(19)18-14(17-11)15(20-3)8-5-7-10(2)9-15/h10H,4-9H2,1-3H3,(H,17,18,19)
InChIKeyJVGIRHCVMRJOEH-UHFFFAOYSA-N
XLogP3.38
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-5-iodo-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one
CID 136963968
2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 116745240
5-bromo-2-(1-methoxycyclohexyl)-4-propyl-1H-pyrimidin-6-one
CID 136963886
2-(1-methoxy-3-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137017839
5-(chloromethyl)-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 114205199
2-(1-ethoxy-4-methylcyclohexyl)-4-ethyl-5-iodo-1H-pyrimidin-6-one
CID 136963971
2-(1-ethoxy-3-methylcyclohexyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 136963804
6-ethyl-2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1H-pyrimidine-4-thione
CID 106478296
4-hydroxy-5-iodo-2-(1-methoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one
CID 116745253
2-(1-methoxy-3-methylcyclohexyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476786
2-(1-ethoxy-3-methylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696180
4-chloro-5-iodo-6-(methoxymethyl)-2-(1-methoxy-3-methylcyclohexyl)pyrimidine
CID 116746275

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(1-methoxy-3-methylcyclohexyl)-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-2-(1-methoxy-3-methylcyclohexyl)-4-propyl-1H-pyrimidin-6-one (CID 136963915) is 5-iodo-2-(1-methoxy-3-methylcyclohexyl)-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-2-(1-methoxy-3-methylcyclohexyl)-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-2-(1-methoxy-3-methylcyclohexyl)-4-propyl-1H-pyrimidin-6-one is CCCc1nc(C2(OC)CCCC(C)C2)[nH]c(=O)c1I.
What is the InChIKey of 5-iodo-2-(1-methoxy-3-methylcyclohexyl)-4-propyl-1H-pyrimidin-6-one?
The InChIKey is JVGIRHCVMRJOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23IN2O2/c1-4-6-11-12(16)13(19)18-14(17-11)15(20-3)8-5-7-10(2)9-15/h10H,4-9H2,1-3H3,(H,17,18,19).
What are the key properties of 5-iodo-2-(1-methoxy-3-methylcyclohexyl)-4-propyl-1H-pyrimidin-6-one?
5-iodo-2-(1-methoxy-3-methylcyclohexyl)-4-propyl-1H-pyrimidin-6-one has a molecular weight of 390.27 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(1-methoxy-3-methylcyclohexyl)-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136963915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).