ethane;2-(1H-imidazol-2-yl)-4-methylpyrimidine;2-(3-methoxyphenyl)-4-methylpyrimidine

C22H26N6O — CID 142171320

IUPACethane;2-(1H-imidazol-2-yl)-4-methylpyrimidine;2-(3-methoxyphenyl)-4-methylpyrimidine
SMILESCC.COc1cccc(-c2nccc(C)n2)c1.Cc1ccnc(-c2ncc[nH]2)n1
InChIInChI=1S/C12H12N2O.C8H8N4.C2H6/c1-9-6-7-13-12(14-9)10-4-3-5-11(8-10)15-2;1-6-2-3-9-8(12-6)7-10-4-5-11-7;1-2/h3-8H,1-2H3;2-5H,1H3,(H,10,11);1-2H3
InChIKeyIEYGGUYVPKKSHQ-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.66
Rot. Bonds3

About ethane;2-(1H-imidazol-2-yl)-4-methylpyrimidine;2-(3-methoxyphenyl)-4-methylpyrimidine

ethane;2-(1H-imidazol-2-yl)-4-methylpyrimidine;2-(3-methoxyphenyl)-4-methylpyrimidine (PubChem CID 142171320) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is ethane;2-(1H-imidazol-2-yl)-4-methylpyrimidine;2-(3-methoxyphenyl)-4-methylpyrimidine.

Molecular Properties

Compound Nameethane;2-(1H-imidazol-2-yl)-4-methylpyrimidine;2-(3-methoxyphenyl)-4-methylpyrimidine
PubChem CID142171320
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Nameethane;2-(1H-imidazol-2-yl)-4-methylpyrimidine;2-(3-methoxyphenyl)-4-methylpyrimidine
SMILESCC.COc1cccc(-c2nccc(C)n2)c1.Cc1ccnc(-c2ncc[nH]2)n1
InChIInChI=1S/C12H12N2O.C8H8N4.C2H6/c1-9-6-7-13-12(14-9)10-4-3-5-11(8-10)15-2;1-6-2-3-9-8(12-6)7-10-4-5-11-7;1-2/h3-8H,1-2H3;2-5H,1H3,(H,10,11);1-2H3
InChIKeyIEYGGUYVPKKSHQ-UHFFFAOYSA-N
XLogP4.66
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1H-imidazol-2-yl)-5-(3-methoxyphenyl)-1H-imidazole
CID 19696853
2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 62191311
4-(dimethoxymethyl)-2-(3-methoxyphenyl)pyrimidine
CID 113329743
1-[2-(3-methoxyphenyl)pyrimidin-4-yl]-N-methylmethanamine
CID 62748257
4-methyl-2-[3-(4-methylphenyl)phenyl]pyrimidine
CID 118345332
2-(3-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 62192962
2-(3,5-dimethoxyphenyl)-1H-imidazole;dihydrochloride
CID 139785129
ethyl 2-(3-methoxyphenyl)pyrimidine-4-carboxylate
CID 113341045
2-(3-methoxyphenyl)-5-methylpyrimidine
CID 121432653
5-(3-methoxyphenyl)-3-[3-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole
CID 118529464
2-[2-(4-methoxyphenyl)phenyl]-1H-imidazole
CID 11736810
N-benzyl-2-(3-methoxyphenyl)pyrimidin-4-amine
CID 3233960

Frequently Asked Questions

What is the IUPAC name of ethane;2-(1H-imidazol-2-yl)-4-methylpyrimidine;2-(3-methoxyphenyl)-4-methylpyrimidine?
The IUPAC name of ethane;2-(1H-imidazol-2-yl)-4-methylpyrimidine;2-(3-methoxyphenyl)-4-methylpyrimidine (CID 142171320) is ethane;2-(1H-imidazol-2-yl)-4-methylpyrimidine;2-(3-methoxyphenyl)-4-methylpyrimidine.
What is the SMILES notation for ethane;2-(1H-imidazol-2-yl)-4-methylpyrimidine;2-(3-methoxyphenyl)-4-methylpyrimidine?
The canonical SMILES for ethane;2-(1H-imidazol-2-yl)-4-methylpyrimidine;2-(3-methoxyphenyl)-4-methylpyrimidine is CC.COc1cccc(-c2nccc(C)n2)c1.Cc1ccnc(-c2ncc[nH]2)n1.
What is the InChIKey of ethane;2-(1H-imidazol-2-yl)-4-methylpyrimidine;2-(3-methoxyphenyl)-4-methylpyrimidine?
The InChIKey is IEYGGUYVPKKSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O.C8H8N4.C2H6/c1-9-6-7-13-12(14-9)10-4-3-5-11(8-10)15-2;1-6-2-3-9-8(12-6)7-10-4-5-11-7;1-2/h3-8H,1-2H3;2-5H,1H3,(H,10,11);1-2H3.
What are the key properties of ethane;2-(1H-imidazol-2-yl)-4-methylpyrimidine;2-(3-methoxyphenyl)-4-methylpyrimidine?
ethane;2-(1H-imidazol-2-yl)-4-methylpyrimidine;2-(3-methoxyphenyl)-4-methylpyrimidine has a molecular weight of 390.49 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(1H-imidazol-2-yl)-4-methylpyrimidine;2-(3-methoxyphenyl)-4-methylpyrimidine is sourced from PubChem (CID 142171320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).