4,6-dichloro-2-(1-methoxycycloheptyl)-5-methylpyrimidine

C13H18Cl2N2O — CID 116745969

IUPAC4,6-dichloro-2-(1-methoxycycloheptyl)-5-methylpyrimidine
SMILESCOC1(c2nc(Cl)c(C)c(Cl)n2)CCCCCC1
InChIInChI=1S/C13H18Cl2N2O/c1-9-10(14)16-12(17-11(9)15)13(18-2)7-5-3-4-6-8-13/h3-8H2,1-2H3
InChIKeyBHDTXXZHIOVZPM-UHFFFAOYSA-N
MW289.21 g/mol
LogP4.29
Rot. Bonds2

About 4,6-dichloro-2-(1-methoxycycloheptyl)-5-methylpyrimidine

4,6-dichloro-2-(1-methoxycycloheptyl)-5-methylpyrimidine (PubChem CID 116745969) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 4,6-dichloro-2-(1-methoxycycloheptyl)-5-methylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(1-methoxycycloheptyl)-5-methylpyrimidine
PubChem CID116745969
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name4,6-dichloro-2-(1-methoxycycloheptyl)-5-methylpyrimidine
SMILESCOC1(c2nc(Cl)c(C)c(Cl)n2)CCCCCC1
InChIInChI=1S/C13H18Cl2N2O/c1-9-10(14)16-12(17-11(9)15)13(18-2)7-5-3-4-6-8-13/h3-8H2,1-2H3
InChIKeyBHDTXXZHIOVZPM-UHFFFAOYSA-N
XLogP4.29
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4,6-dichloro-2-(1-methoxycyclohexyl)pyrimidine
CID 116746046
4,6-dichloro-2-(4-methoxyoxan-4-yl)-5-methylpyrimidine
CID 116745967
4,6-dichloro-5-cyclopentyl-2-(1-methoxycyclohexyl)pyrimidine
CID 116746440
4-chloro-2-(1-methoxycycloheptyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 116745833
2-(1-methoxycycloheptyl)-N,5,6-trimethylpyrimidin-4-amine
CID 116776105
4-chloro-2-(1-methoxycyclohexyl)-6-propan-2-ylpyrimidine
CID 116745751
4-(chloromethyl)-2-(1-methoxycyclohexyl)-6-methylpyrimidine
CID 116779068
6-ethyl-2-(1-methoxycyclohexyl)-5-methylpyrimidin-4-amine
CID 116776328
5-bromo-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine
CID 116776459
[2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-yl]methanamine
CID 116778602
2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidine-5-carboxylic acid
CID 113432871
4,6-dichloro-5-(3-chlorophenyl)-2-(1-methoxycyclobutyl)pyrimidine
CID 116706634

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(1-methoxycycloheptyl)-5-methylpyrimidine?
The IUPAC name of 4,6-dichloro-2-(1-methoxycycloheptyl)-5-methylpyrimidine (CID 116745969) is 4,6-dichloro-2-(1-methoxycycloheptyl)-5-methylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(1-methoxycycloheptyl)-5-methylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-(1-methoxycycloheptyl)-5-methylpyrimidine is COC1(c2nc(Cl)c(C)c(Cl)n2)CCCCCC1.
What is the InChIKey of 4,6-dichloro-2-(1-methoxycycloheptyl)-5-methylpyrimidine?
The InChIKey is BHDTXXZHIOVZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-9-10(14)16-12(17-11(9)15)13(18-2)7-5-3-4-6-8-13/h3-8H2,1-2H3.
What are the key properties of 4,6-dichloro-2-(1-methoxycycloheptyl)-5-methylpyrimidine?
4,6-dichloro-2-(1-methoxycycloheptyl)-5-methylpyrimidine has a molecular weight of 289.21 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(1-methoxycycloheptyl)-5-methylpyrimidine is sourced from PubChem (CID 116745969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).