4-(dimethoxymethyl)-2-(pyridin-4-ylmethyl)pyrimidine

C13H15N3O2 — CID 115531673

IUPAC4-(dimethoxymethyl)-2-(pyridin-4-ylmethyl)pyrimidine
SMILESCOC(OC)c1ccnc(Cc2ccncc2)n1
InChIInChI=1S/C13H15N3O2/c1-17-13(18-2)11-5-8-15-12(16-11)9-10-3-6-14-7-4-10/h3-8,13H,9H2,1-2H3
InChIKeyOHLNDCTYZWUALX-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.75
Rot. Bonds5

About 4-(dimethoxymethyl)-2-(pyridin-4-ylmethyl)pyrimidine

4-(dimethoxymethyl)-2-(pyridin-4-ylmethyl)pyrimidine (PubChem CID 115531673) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-2-(pyridin-4-ylmethyl)pyrimidine.

Molecular Properties

Compound Name4-(dimethoxymethyl)-2-(pyridin-4-ylmethyl)pyrimidine
PubChem CID115531673
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-(dimethoxymethyl)-2-(pyridin-4-ylmethyl)pyrimidine
SMILESCOC(OC)c1ccnc(Cc2ccncc2)n1
InChIInChI=1S/C13H15N3O2/c1-17-13(18-2)11-5-8-15-12(16-11)9-10-3-6-14-7-4-10/h3-8,13H,9H2,1-2H3
InChIKeyOHLNDCTYZWUALX-UHFFFAOYSA-N
XLogP1.75
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.75
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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Related Compounds

2-[(2,6-dichlorophenyl)methyl]-4-(dimethoxymethyl)pyrimidine
CID 115531650
2-[4-(dimethoxymethyl)pyrimidin-2-yl]ethanamine
CID 55262615
4-(dimethoxymethyl)-2-(1-methoxyethyl)pyrimidine
CID 115531727
4-(dimethoxymethyl)-2-[(2-methyloxan-4-yl)methyl]pyrimidine
CID 142531156
4-(dimethoxymethyl)-2-phenylpyrimidine
CID 79020331
4-(dimethoxymethyl)-2-(3,4,5-trifluorophenyl)pyrimidine
CID 115531652
4-methyl-2-(pyridin-4-ylmethyl)pyrimidine-5-carboxylic acid
CID 62551774
2-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine
CID 62190614
[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]methanol
CID 62748660
2-(3,5-dichlorophenyl)-4-(dimethoxymethyl)pyrimidine
CID 114015736
4-(dimethoxymethyl)-2-(1-methoxycyclobutyl)pyrimidine
CID 116731031
4-[[4-(pyridin-4-ylmethyl)phenyl]methyl]pyridine
CID 20646252

Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxymethyl)-2-(pyridin-4-ylmethyl)pyrimidine?
The IUPAC name of 4-(dimethoxymethyl)-2-(pyridin-4-ylmethyl)pyrimidine (CID 115531673) is 4-(dimethoxymethyl)-2-(pyridin-4-ylmethyl)pyrimidine.
What is the SMILES notation for 4-(dimethoxymethyl)-2-(pyridin-4-ylmethyl)pyrimidine?
The canonical SMILES for 4-(dimethoxymethyl)-2-(pyridin-4-ylmethyl)pyrimidine is COC(OC)c1ccnc(Cc2ccncc2)n1.
What is the InChIKey of 4-(dimethoxymethyl)-2-(pyridin-4-ylmethyl)pyrimidine?
The InChIKey is OHLNDCTYZWUALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-17-13(18-2)11-5-8-15-12(16-11)9-10-3-6-14-7-4-10/h3-8,13H,9H2,1-2H3.
What are the key properties of 4-(dimethoxymethyl)-2-(pyridin-4-ylmethyl)pyrimidine?
4-(dimethoxymethyl)-2-(pyridin-4-ylmethyl)pyrimidine has a molecular weight of 245.28 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-2-(pyridin-4-ylmethyl)pyrimidine is sourced from PubChem (CID 115531673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).