4-chloro-5-iodo-2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidine

C13H18ClIN2O — CID 116746100

IUPAC4-chloro-5-iodo-2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidine
SMILESCOC1(c2nc(C)c(I)c(Cl)n2)CCC(C)CC1
InChIInChI=1S/C13H18ClIN2O/c1-8-4-6-13(18-3,7-5-8)12-16-9(2)10(15)11(14)17-12/h8H,4-7H2,1-3H3
InChIKeyRDUXCZZPWWKAKS-UHFFFAOYSA-N
MW380.66 g/mol
LogP4.09
Rot. Bonds2

About 4-chloro-5-iodo-2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidine

4-chloro-5-iodo-2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidine (PubChem CID 116746100) has the molecular formula C13H18ClIN2O and a molecular weight of 380.66 g/mol. Its IUPAC name is 4-chloro-5-iodo-2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-iodo-2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidine
PubChem CID116746100
Molecular FormulaC13H18ClIN2O
Molecular Weight380.66 g/mol
Exact Mass380.02
IUPAC Name4-chloro-5-iodo-2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidine
SMILESCOC1(c2nc(C)c(I)c(Cl)n2)CCC(C)CC1
InChIInChI=1S/C13H18ClIN2O/c1-8-4-6-13(18-3,7-5-8)12-16-9(2)10(15)11(14)17-12/h8H,4-7H2,1-3H3
InChIKeyRDUXCZZPWWKAKS-UHFFFAOYSA-N
XLogP4.09
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.66
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(1-methoxy-4-methylcyclohexyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 116779383
4-amino-2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidine-5-carbonitrile
CID 116782062
6-tert-butyl-5-iodo-2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-amine
CID 116776714
4-chloro-6-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine
CID 116745903
4-chloro-5-iodo-6-(methoxymethyl)-2-(1-methoxy-3-methylcyclohexyl)pyrimidine
CID 116746275
5-iodo-2-(1-methoxycyclobutyl)-6-methylpyrimidin-4-amine
CID 116729345
4,6-dichloro-2-(1-methoxycycloheptyl)-5-methylpyrimidine
CID 116745969
N,6-diethyl-5-iodo-2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-amine
CID 116776832
5-iodo-2-(1-methoxy-4-methylcyclohexyl)-6-(2-methylpropyl)pyrimidin-4-amine
CID 116777303
4-chloro-5-iodo-6-methyl-2-(4-methylcyclohexyl)pyrimidine
CID 66294162
4-chloro-6-cyclopentyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine
CID 116746448
3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-amine
CID 116742455

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-iodo-2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidine?
The IUPAC name of 4-chloro-5-iodo-2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidine (CID 116746100) is 4-chloro-5-iodo-2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-5-iodo-2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidine?
The canonical SMILES for 4-chloro-5-iodo-2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidine is COC1(c2nc(C)c(I)c(Cl)n2)CCC(C)CC1.
What is the InChIKey of 4-chloro-5-iodo-2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidine?
The InChIKey is RDUXCZZPWWKAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClIN2O/c1-8-4-6-13(18-3,7-5-8)12-16-9(2)10(15)11(14)17-12/h8H,4-7H2,1-3H3.
What are the key properties of 4-chloro-5-iodo-2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidine?
4-chloro-5-iodo-2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidine has a molecular weight of 380.66 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-iodo-2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidine is sourced from PubChem (CID 116746100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).