4-(dimethoxymethyl)-2-(1-methoxycyclohexyl)pyrimidine

C14H22N2O3 — CID 116778439

IUPAC4-(dimethoxymethyl)-2-(1-methoxycyclohexyl)pyrimidine
SMILESCOC(OC)c1ccnc(C2(OC)CCCCC2)n1
InChIInChI=1S/C14H22N2O3/c1-17-12(18-2)11-7-10-15-13(16-11)14(19-3)8-5-4-6-9-14/h7,10,12H,4-6,8-9H2,1-3H3
InChIKeyXIDVDDVKAUWZSA-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.57
Rot. Bonds5

About 4-(dimethoxymethyl)-2-(1-methoxycyclohexyl)pyrimidine

4-(dimethoxymethyl)-2-(1-methoxycyclohexyl)pyrimidine (PubChem CID 116778439) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-2-(1-methoxycyclohexyl)pyrimidine.

Molecular Properties

Compound Name4-(dimethoxymethyl)-2-(1-methoxycyclohexyl)pyrimidine
PubChem CID116778439
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name4-(dimethoxymethyl)-2-(1-methoxycyclohexyl)pyrimidine
SMILESCOC(OC)c1ccnc(C2(OC)CCCCC2)n1
InChIInChI=1S/C14H22N2O3/c1-17-12(18-2)11-7-10-15-13(16-11)14(19-3)8-5-4-6-9-14/h7,10,12H,4-6,8-9H2,1-3H3
InChIKeyXIDVDDVKAUWZSA-UHFFFAOYSA-N
XLogP2.57
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxymethyl)-2-(1-methoxycyclohexyl)pyrimidine?
The IUPAC name of 4-(dimethoxymethyl)-2-(1-methoxycyclohexyl)pyrimidine (CID 116778439) is 4-(dimethoxymethyl)-2-(1-methoxycyclohexyl)pyrimidine.
What is the SMILES notation for 4-(dimethoxymethyl)-2-(1-methoxycyclohexyl)pyrimidine?
The canonical SMILES for 4-(dimethoxymethyl)-2-(1-methoxycyclohexyl)pyrimidine is COC(OC)c1ccnc(C2(OC)CCCCC2)n1.
What is the InChIKey of 4-(dimethoxymethyl)-2-(1-methoxycyclohexyl)pyrimidine?
The InChIKey is XIDVDDVKAUWZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-17-12(18-2)11-7-10-15-13(16-11)14(19-3)8-5-4-6-9-14/h7,10,12H,4-6,8-9H2,1-3H3.
What are the key properties of 4-(dimethoxymethyl)-2-(1-methoxycyclohexyl)pyrimidine?
4-(dimethoxymethyl)-2-(1-methoxycyclohexyl)pyrimidine has a molecular weight of 266.34 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-2-(1-methoxycyclohexyl)pyrimidine is sourced from PubChem (CID 116778439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).