2,4-dimethoxy-5-[6-(3-methoxyphenyl)pyrazin-2-yl]pyrimidine

C17H16N4O3 — CID 126473814

IUPAC2,4-dimethoxy-5-[6-(3-methoxyphenyl)pyrazin-2-yl]pyrimidine
SMILESCOc1cccc(-c2cncc(-c3cnc(OC)nc3OC)n2)c1
InChIInChI=1S/C17H16N4O3/c1-22-12-6-4-5-11(7-12)14-9-18-10-15(20-14)13-8-19-17(24-3)21-16(13)23-2/h4-10H,1-3H3
InChIKeyGTVDFLTWYUXVMJ-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.63
Rot. Bonds5

About 2,4-dimethoxy-5-[6-(3-methoxyphenyl)pyrazin-2-yl]pyrimidine

2,4-dimethoxy-5-[6-(3-methoxyphenyl)pyrazin-2-yl]pyrimidine (PubChem CID 126473814) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2,4-dimethoxy-5-[6-(3-methoxyphenyl)pyrazin-2-yl]pyrimidine.

Molecular Properties

Compound Name2,4-dimethoxy-5-[6-(3-methoxyphenyl)pyrazin-2-yl]pyrimidine
PubChem CID126473814
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name2,4-dimethoxy-5-[6-(3-methoxyphenyl)pyrazin-2-yl]pyrimidine
SMILESCOc1cccc(-c2cncc(-c3cnc(OC)nc3OC)n2)c1
InChIInChI=1S/C17H16N4O3/c1-22-12-6-4-5-11(7-12)14-9-18-10-15(20-14)13-8-19-17(24-3)21-16(13)23-2/h4-10H,1-3H3
InChIKeyGTVDFLTWYUXVMJ-UHFFFAOYSA-N
XLogP2.63
TPSA79.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-dimethoxy-5-(3-methoxyphenyl)pyrimidine
CID 76538776
5-(2,4-dimethoxyphenyl)-2,4-dimethoxypyrimidine
CID 141069506
N-(2,4-dimethoxypyrimidin-5-yl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 122304138
methyl 6-(3-methoxyphenyl)pyrazine-2-carboxylate
CID 167450731
2,4-dimethoxy-5-(4-methylphenyl)pyrimidine
CID 90464410
[6-(3-methoxyphenyl)-3-pyridinyl]boronic acid
CID 131383111
[1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]imidazol-4-yl]-(3-methoxyphenyl)methanone
CID 67428511
3-[[[5-(2,4-dimethoxypyrimidin-5-yl)-3-pyridinyl]amino]methyl]phenol
CID 11976379
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
8-(2,4-dimethoxypyrimidin-5-yl)quinoline
CID 39749827
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-5-[6-(3-methoxyphenyl)pyrazin-2-yl]pyrimidine?
The IUPAC name of 2,4-dimethoxy-5-[6-(3-methoxyphenyl)pyrazin-2-yl]pyrimidine (CID 126473814) is 2,4-dimethoxy-5-[6-(3-methoxyphenyl)pyrazin-2-yl]pyrimidine.
What is the SMILES notation for 2,4-dimethoxy-5-[6-(3-methoxyphenyl)pyrazin-2-yl]pyrimidine?
The canonical SMILES for 2,4-dimethoxy-5-[6-(3-methoxyphenyl)pyrazin-2-yl]pyrimidine is COc1cccc(-c2cncc(-c3cnc(OC)nc3OC)n2)c1.
What is the InChIKey of 2,4-dimethoxy-5-[6-(3-methoxyphenyl)pyrazin-2-yl]pyrimidine?
The InChIKey is GTVDFLTWYUXVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-22-12-6-4-5-11(7-12)14-9-18-10-15(20-14)13-8-19-17(24-3)21-16(13)23-2/h4-10H,1-3H3.
What are the key properties of 2,4-dimethoxy-5-[6-(3-methoxyphenyl)pyrazin-2-yl]pyrimidine?
2,4-dimethoxy-5-[6-(3-methoxyphenyl)pyrazin-2-yl]pyrimidine has a molecular weight of 324.34 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-5-[6-(3-methoxyphenyl)pyrazin-2-yl]pyrimidine is sourced from PubChem (CID 126473814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).