4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)-6-(methoxymethyl)pyrimidine

C15H23ClN2O2 — CID 116745853

IUPAC4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)-6-(methoxymethyl)pyrimidine
SMILESCOCc1cc(Cl)nc(C2(OC)CCC(C)(C)CC2)n1
InChIInChI=1S/C15H23ClN2O2/c1-14(2)5-7-15(20-4,8-6-14)13-17-11(10-19-3)9-12(16)18-13/h9H,5-8,10H2,1-4H3
InChIKeyXWIYEOZUGZRUMH-UHFFFAOYSA-N
MW298.81 g/mol
LogP3.72
Rot. Bonds4

About 4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)-6-(methoxymethyl)pyrimidine

4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)-6-(methoxymethyl)pyrimidine (PubChem CID 116745853) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)-6-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)-6-(methoxymethyl)pyrimidine
PubChem CID116745853
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)-6-(methoxymethyl)pyrimidine
SMILESCOCc1cc(Cl)nc(C2(OC)CCC(C)(C)CC2)n1
InChIInChI=1S/C15H23ClN2O2/c1-14(2)5-7-15(20-4,8-6-14)13-17-11(10-19-3)9-12(16)18-13/h9H,5-8,10H2,1-4H3
InChIKeyXWIYEOZUGZRUMH-UHFFFAOYSA-N
XLogP3.72
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-(methoxymethyl)-2-(4-methoxyoxan-4-yl)pyrimidine
CID 116745866
2-(1-methoxy-4,4-dimethylcyclohexyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 116776150
4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-ylpyrimidine
CID 116745744
4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)pyrimidine
CID 116745761
[2-(1-methoxycyclobutyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
CID 116730395
4-chloro-6-cyclopropyl-2-(1-methoxycyclopentyl)pyrimidine
CID 104609956
4-chloro-6-cyclopropyl-2-(1-methoxycyclobutyl)pyrimidine
CID 116706276
2-(1-methoxy-4,4-dimethylcyclohexyl)-6-methylpyrimidine-4-carboxylic acid
CID 116778946
4-chloro-6-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine
CID 116745903
4-chloro-6-(methoxymethyl)-2-piperidin-1-ylpyrimidine
CID 62319950
4-chloro-2-(1-methoxycyclohexyl)-6-propan-2-ylpyrimidine
CID 116745751
4-(chloromethyl)-2-(1-methoxycyclohexyl)-6-methylpyrimidine
CID 116779068

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)-6-(methoxymethyl)pyrimidine?
The IUPAC name of 4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)-6-(methoxymethyl)pyrimidine (CID 116745853) is 4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)-6-(methoxymethyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)-6-(methoxymethyl)pyrimidine?
The canonical SMILES for 4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)-6-(methoxymethyl)pyrimidine is COCc1cc(Cl)nc(C2(OC)CCC(C)(C)CC2)n1.
What is the InChIKey of 4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)-6-(methoxymethyl)pyrimidine?
The InChIKey is XWIYEOZUGZRUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-14(2)5-7-15(20-4,8-6-14)13-17-11(10-19-3)9-12(16)18-13/h9H,5-8,10H2,1-4H3.
What are the key properties of 4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)-6-(methoxymethyl)pyrimidine?
4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)-6-(methoxymethyl)pyrimidine has a molecular weight of 298.81 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)-6-(methoxymethyl)pyrimidine is sourced from PubChem (CID 116745853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).