4-(dimethoxymethyl)-2-[(2-methyloxan-4-yl)methyl]pyrimidine

C14H22N2O3 — CID 142531156

IUPAC4-(dimethoxymethyl)-2-[(2-methyloxan-4-yl)methyl]pyrimidine
SMILESCOC(OC)c1ccnc(CC2CCOC(C)C2)n1
InChIInChI=1S/C14H22N2O3/c1-10-8-11(5-7-19-10)9-13-15-6-4-12(16-13)14(17-2)18-3/h4,6,10-11,14H,5,7-9H2,1-3H3
InChIKeyLPXDGXYILUUITH-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.13
Rot. Bonds5

About 4-(dimethoxymethyl)-2-[(2-methyloxan-4-yl)methyl]pyrimidine

4-(dimethoxymethyl)-2-[(2-methyloxan-4-yl)methyl]pyrimidine (PubChem CID 142531156) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-2-[(2-methyloxan-4-yl)methyl]pyrimidine.

Molecular Properties

Compound Name4-(dimethoxymethyl)-2-[(2-methyloxan-4-yl)methyl]pyrimidine
PubChem CID142531156
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name4-(dimethoxymethyl)-2-[(2-methyloxan-4-yl)methyl]pyrimidine
SMILESCOC(OC)c1ccnc(CC2CCOC(C)C2)n1
InChIInChI=1S/C14H22N2O3/c1-10-8-11(5-7-19-10)9-13-15-6-4-12(16-13)14(17-2)18-3/h4,6,10-11,14H,5,7-9H2,1-3H3
InChIKeyLPXDGXYILUUITH-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
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-[(2-methyloxan-4-yl)methyl]pyrimidine?
The IUPAC name of 4-(dimethoxymethyl)-2-[(2-methyloxan-4-yl)methyl]pyrimidine (CID 142531156) is 4-(dimethoxymethyl)-2-[(2-methyloxan-4-yl)methyl]pyrimidine.
What is the SMILES notation for 4-(dimethoxymethyl)-2-[(2-methyloxan-4-yl)methyl]pyrimidine?
The canonical SMILES for 4-(dimethoxymethyl)-2-[(2-methyloxan-4-yl)methyl]pyrimidine is COC(OC)c1ccnc(CC2CCOC(C)C2)n1.
What is the InChIKey of 4-(dimethoxymethyl)-2-[(2-methyloxan-4-yl)methyl]pyrimidine?
The InChIKey is LPXDGXYILUUITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10-8-11(5-7-19-10)9-13-15-6-4-12(16-13)14(17-2)18-3/h4,6,10-11,14H,5,7-9H2,1-3H3.
What are the key properties of 4-(dimethoxymethyl)-2-[(2-methyloxan-4-yl)methyl]pyrimidine?
4-(dimethoxymethyl)-2-[(2-methyloxan-4-yl)methyl]pyrimidine has a molecular weight of 266.34 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-2-[(2-methyloxan-4-yl)methyl]pyrimidine is sourced from PubChem (CID 142531156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).