4,5-dimethyl-6-phenylmethoxy-2-pyrazin-2-ylpyrimidine

C17H16N4O — CID 95922345

IUPAC4,5-dimethyl-6-phenylmethoxy-2-pyrazin-2-ylpyrimidine
SMILESCc1nc(-c2cnccn2)nc(OCc2ccccc2)c1C
InChIInChI=1S/C17H16N4O/c1-12-13(2)20-16(15-10-18-8-9-19-15)21-17(12)22-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKeyCBACKGCHECXQMN-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.13
Rot. Bonds4

About 4,5-dimethyl-6-phenylmethoxy-2-pyrazin-2-ylpyrimidine

4,5-dimethyl-6-phenylmethoxy-2-pyrazin-2-ylpyrimidine (PubChem CID 95922345) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 4,5-dimethyl-6-phenylmethoxy-2-pyrazin-2-ylpyrimidine.

Molecular Properties

Compound Name4,5-dimethyl-6-phenylmethoxy-2-pyrazin-2-ylpyrimidine
PubChem CID95922345
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name4,5-dimethyl-6-phenylmethoxy-2-pyrazin-2-ylpyrimidine
SMILESCc1nc(-c2cnccn2)nc(OCc2ccccc2)c1C
InChIInChI=1S/C17H16N4O/c1-12-13(2)20-16(15-10-18-8-9-19-15)21-17(12)22-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKeyCBACKGCHECXQMN-UHFFFAOYSA-N
XLogP3.13
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5,6-dimethyl-2-pyrazin-2-ylpyrimidin-4-yl)oxy-N-(2-methoxyphenyl)acetamide
CID 95922351
2-(5,6-dimethyl-2-pyrazin-2-ylpyrimidin-4-yl)oxy-N-[(4-methylphenyl)methyl]acetamide
CID 95922354
2-(4-fluorophenyl)-4,5-dimethyl-6-[(4-methylphenyl)methoxy]pyrimidine
CID 95922976
4-chloro-3,5-dimethyl-2-phenylmethoxypyridine
CID 139821187
5,6-dimethyl-N-(2-phenylethyl)-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 18460352
3,4-dimethyl-5-phenylmethoxypyridine
CID 70023630
4-methyl-3-phenylmethoxy-5-pyridin-3-ylpyridine
CID 175581548
3-(4-chlorophenyl)-5-[(5,6-dimethyl-2-phenylpyrimidin-4-yl)oxymethyl]-1,2-oxazole
CID 123676741
(2,5-dimethyl-6-phenylmethoxypyrimidin-4-yl)hydrazine
CID 80910056
2-methyl-4-phenylmethoxythieno[2,3-d]pyrimidine
CID 175578608
2-bromo-3,5,6-trimethyl-4-phenylmethoxypyridine
CID 169250451
2-fluoro-3,5-dimethyl-6-phenylmethoxypyridine
CID 144823733

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-6-phenylmethoxy-2-pyrazin-2-ylpyrimidine?
The IUPAC name of 4,5-dimethyl-6-phenylmethoxy-2-pyrazin-2-ylpyrimidine (CID 95922345) is 4,5-dimethyl-6-phenylmethoxy-2-pyrazin-2-ylpyrimidine.
What is the SMILES notation for 4,5-dimethyl-6-phenylmethoxy-2-pyrazin-2-ylpyrimidine?
The canonical SMILES for 4,5-dimethyl-6-phenylmethoxy-2-pyrazin-2-ylpyrimidine is Cc1nc(-c2cnccn2)nc(OCc2ccccc2)c1C.
What is the InChIKey of 4,5-dimethyl-6-phenylmethoxy-2-pyrazin-2-ylpyrimidine?
The InChIKey is CBACKGCHECXQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-12-13(2)20-16(15-10-18-8-9-19-15)21-17(12)22-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3.
What are the key properties of 4,5-dimethyl-6-phenylmethoxy-2-pyrazin-2-ylpyrimidine?
4,5-dimethyl-6-phenylmethoxy-2-pyrazin-2-ylpyrimidine has a molecular weight of 292.34 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-6-phenylmethoxy-2-pyrazin-2-ylpyrimidine is sourced from PubChem (CID 95922345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).