4-(dimethoxymethyl)-2-(3-methoxyphenyl)pyrimidine

C14H16N2O3 — CID 113329743

IUPAC4-(dimethoxymethyl)-2-(3-methoxyphenyl)pyrimidine
SMILESCOc1cccc(-c2nccc(C(OC)OC)n2)c1
InChIInChI=1S/C14H16N2O3/c1-17-11-6-4-5-10(9-11)13-15-8-7-12(16-13)14(18-2)19-3/h4-9,14H,1-3H3
InChIKeyKACKJFVOFZLOIK-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.44
Rot. Bonds5

About 4-(dimethoxymethyl)-2-(3-methoxyphenyl)pyrimidine

4-(dimethoxymethyl)-2-(3-methoxyphenyl)pyrimidine (PubChem CID 113329743) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-2-(3-methoxyphenyl)pyrimidine.

Molecular Properties

Compound Name4-(dimethoxymethyl)-2-(3-methoxyphenyl)pyrimidine
PubChem CID113329743
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name4-(dimethoxymethyl)-2-(3-methoxyphenyl)pyrimidine
SMILESCOc1cccc(-c2nccc(C(OC)OC)n2)c1
InChIInChI=1S/C14H16N2O3/c1-17-11-6-4-5-10(9-11)13-15-8-7-12(16-13)14(18-2)19-3/h4-9,14H,1-3H3
InChIKeyKACKJFVOFZLOIK-UHFFFAOYSA-N
XLogP2.44
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.44
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

3-[4-(dimethoxymethyl)pyrimidin-2-yl]phenol
CID 114016157
4-(dimethoxymethyl)-2-phenylpyrimidine
CID 79020331
2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 62191311
1-[2-(3-methoxyphenyl)pyrimidin-4-yl]-N-methylmethanamine
CID 62748257
ethyl 2-(3-methoxyphenyl)pyrimidine-4-carboxylate
CID 113341045
N-benzyl-2-(3-methoxyphenyl)pyrimidin-4-amine
CID 3233960
4-(1-methoxyethyl)-2-phenylpyrimidine
CID 141154536
ethane;2-(1H-imidazol-2-yl)-4-methylpyrimidine;2-(3-methoxyphenyl)-4-methylpyrimidine
CID 142171320
2-(3-methoxyphenyl)-5-methylpyrimidine
CID 121432653
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
2-[3-(4-methoxyphenyl)phenyl]-4-phenylpyrimidine
CID 102598819
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762

Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxymethyl)-2-(3-methoxyphenyl)pyrimidine?
The IUPAC name of 4-(dimethoxymethyl)-2-(3-methoxyphenyl)pyrimidine (CID 113329743) is 4-(dimethoxymethyl)-2-(3-methoxyphenyl)pyrimidine.
What is the SMILES notation for 4-(dimethoxymethyl)-2-(3-methoxyphenyl)pyrimidine?
The canonical SMILES for 4-(dimethoxymethyl)-2-(3-methoxyphenyl)pyrimidine is COc1cccc(-c2nccc(C(OC)OC)n2)c1.
What is the InChIKey of 4-(dimethoxymethyl)-2-(3-methoxyphenyl)pyrimidine?
The InChIKey is KACKJFVOFZLOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-17-11-6-4-5-10(9-11)13-15-8-7-12(16-13)14(18-2)19-3/h4-9,14H,1-3H3.
What are the key properties of 4-(dimethoxymethyl)-2-(3-methoxyphenyl)pyrimidine?
4-(dimethoxymethyl)-2-(3-methoxyphenyl)pyrimidine has a molecular weight of 260.29 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-2-(3-methoxyphenyl)pyrimidine is sourced from PubChem (CID 113329743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).