5-bromo-4-chloro-6-(methoxymethyl)-2-(1-methoxy-3-methylcyclohexyl)pyrimidine

C14H20BrClN2O2 — CID 116746257

IUPAC5-bromo-4-chloro-6-(methoxymethyl)-2-(1-methoxy-3-methylcyclohexyl)pyrimidine
SMILESCOCc1nc(C2(OC)CCCC(C)C2)nc(Cl)c1Br
InChIInChI=1S/C14H20BrClN2O2/c1-9-5-4-6-14(7-9,20-3)13-17-10(8-19-2)11(15)12(16)18-13/h9H,4-8H2,1-3H3
InChIKeyGWRRQXPOHNJBQX-UHFFFAOYSA-N
MW363.68 g/mol
LogP4.09
Rot. Bonds4

About 5-bromo-4-chloro-6-(methoxymethyl)-2-(1-methoxy-3-methylcyclohexyl)pyrimidine

5-bromo-4-chloro-6-(methoxymethyl)-2-(1-methoxy-3-methylcyclohexyl)pyrimidine (PubChem CID 116746257) has the molecular formula C14H20BrClN2O2 and a molecular weight of 363.68 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-(methoxymethyl)-2-(1-methoxy-3-methylcyclohexyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-(methoxymethyl)-2-(1-methoxy-3-methylcyclohexyl)pyrimidine
PubChem CID116746257
Molecular FormulaC14H20BrClN2O2
Molecular Weight363.68 g/mol
Exact Mass362.04
IUPAC Name5-bromo-4-chloro-6-(methoxymethyl)-2-(1-methoxy-3-methylcyclohexyl)pyrimidine
SMILESCOCc1nc(C2(OC)CCCC(C)C2)nc(Cl)c1Br
InChIInChI=1S/C14H20BrClN2O2/c1-9-5-4-6-14(7-9,20-3)13-17-10(8-19-2)11(15)12(16)18-13/h9H,4-8H2,1-3H3
InChIKeyGWRRQXPOHNJBQX-UHFFFAOYSA-N
XLogP4.09
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.68
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-iodo-6-(methoxymethyl)-2-(1-methoxy-3-methylcyclohexyl)pyrimidine
CID 116746275
5-bromo-4-chloro-2-(1-methoxy-3-methylcyclohexyl)-6-propan-2-ylpyrimidine
CID 116746223
5-bromo-4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-6-(methoxymethyl)pyrimidine
CID 116746252
5-bromo-4,6-dichloro-2-(1-methoxycyclohexyl)pyrimidine
CID 116746046
4-chloro-6-cyclopropyl-2-(1-methoxy-3-methylcyclohexyl)pyrimidine
CID 116745914
5-bromo-4-chloro-2-(cyclopentylsulfanylmethyl)-6-(methoxymethyl)pyrimidine
CID 66292018
[2-(1-methoxy-3-methylcyclohexyl)-4-methylpyrimidin-5-yl]methanamine
CID 114205933
2-(1-methoxy-3-methylcyclohexyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 116776210
2-(1-ethoxy-3-methylcyclohexyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114359987
4-chloro-2-(1-ethoxy-3-methylcyclohexyl)-5-iodo-6-propan-2-ylpyrimidine
CID 116746228
5-bromo-4-chloro-6-(methoxymethyl)-2-(4-propan-2-ylcyclohexyl)pyrimidine
CID 66293644
[2-(1-methoxy-3-methylcyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 116777478

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-(methoxymethyl)-2-(1-methoxy-3-methylcyclohexyl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-(methoxymethyl)-2-(1-methoxy-3-methylcyclohexyl)pyrimidine (CID 116746257) is 5-bromo-4-chloro-6-(methoxymethyl)-2-(1-methoxy-3-methylcyclohexyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-(methoxymethyl)-2-(1-methoxy-3-methylcyclohexyl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-(methoxymethyl)-2-(1-methoxy-3-methylcyclohexyl)pyrimidine is COCc1nc(C2(OC)CCCC(C)C2)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-(methoxymethyl)-2-(1-methoxy-3-methylcyclohexyl)pyrimidine?
The InChIKey is GWRRQXPOHNJBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrClN2O2/c1-9-5-4-6-14(7-9,20-3)13-17-10(8-19-2)11(15)12(16)18-13/h9H,4-8H2,1-3H3.
What are the key properties of 5-bromo-4-chloro-6-(methoxymethyl)-2-(1-methoxy-3-methylcyclohexyl)pyrimidine?
5-bromo-4-chloro-6-(methoxymethyl)-2-(1-methoxy-3-methylcyclohexyl)pyrimidine has a molecular weight of 363.68 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-(methoxymethyl)-2-(1-methoxy-3-methylcyclohexyl)pyrimidine is sourced from PubChem (CID 116746257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).