ethane;5-fluoro-2-propylpyrimidine;4-[4-(2-methoxy-6-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-2-methylpyridine

C30H45FN6O — CID 145191463

IUPACethane;5-fluoro-2-propylpyrimidine;4-[4-(2-methoxy-6-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-2-methylpyridine
SMILESCC.CC.CC.CCCc1ncc(F)cn1.COc1cccc(C)c1-n1c(C)nnc1-c1ccnc(C)c1
InChIInChI=1S/C17H18N4O.C7H9FN2.3C2H6/c1-11-6-5-7-15(22-4)16(11)21-13(3)19-20-17(21)14-8-9-18-12(2)10-14;1-2-3-7-9-4-6(8)5-10-7;3*1-2/h5-10H,1-4H3;4-5H,2-3H2,1H3;3*1-2H3
InChIKeyAHEXZQYSAYTCTM-UHFFFAOYSA-N
MW524.73 g/mol
LogP7.91
Rot. Bonds5

About ethane;5-fluoro-2-propylpyrimidine;4-[4-(2-methoxy-6-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-2-methylpyridine

ethane;5-fluoro-2-propylpyrimidine;4-[4-(2-methoxy-6-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-2-methylpyridine (PubChem CID 145191463) has the molecular formula C30H45FN6O and a molecular weight of 524.73 g/mol. Its IUPAC name is ethane;5-fluoro-2-propylpyrimidine;4-[4-(2-methoxy-6-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-2-methylpyridine.

Molecular Properties

Compound Nameethane;5-fluoro-2-propylpyrimidine;4-[4-(2-methoxy-6-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-2-methylpyridine
PubChem CID145191463
Molecular FormulaC30H45FN6O
Molecular Weight524.73 g/mol
Exact Mass524.36
IUPAC Nameethane;5-fluoro-2-propylpyrimidine;4-[4-(2-methoxy-6-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-2-methylpyridine
SMILESCC.CC.CC.CCCc1ncc(F)cn1.COc1cccc(C)c1-n1c(C)nnc1-c1ccnc(C)c1
InChIInChI=1S/C17H18N4O.C7H9FN2.3C2H6/c1-11-6-5-7-15(22-4)16(11)21-13(3)19-20-17(21)14-8-9-18-12(2)10-14;1-2-3-7-9-4-6(8)5-10-7;3*1-2/h5-10H,1-4H3;4-5H,2-3H2,1H3;3*1-2H3
InChIKeyAHEXZQYSAYTCTM-UHFFFAOYSA-N
XLogP7.91
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.73
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethane;5-fluoro-2-(2-methylpropyl)pyrimidine;2-methoxy-6-[4-(2-methoxy-6-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine
CID 145191614
3-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-5-(trifluoromethyl)pyridine;5-fluoro-2-(2-methylpropyl)pyrimidine;molecular hydrogen
CID 145191231
2-[2-[[4-(2,6-dimethoxyphenyl)-5-(2-methoxy-4-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]propyl]-5-fluoropyrimidine
CID 158154513
N-[4-(2,6-dimethoxyphenyl)-5-(4-ethyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-2-(5-fluoropyrimidin-2-yl)ethanesulfonamide
CID 134541919
4-(2,6-dimethoxyphenyl)-N-[2-(5-fluoropyrimidin-2-yl)ethylsulfanyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-amine
CID 155197408
4-(2,6-dimethoxyphenyl)-3-methyl-5-(5-methylfuran-2-yl)-1,2,4-triazole;5-fluoro-2-(2-methylpropyl)pyrimidine;methanol;molecular hydrogen
CID 142359372
5-fluoro-2-[(2R)-2-[[5-(furan-2-yl)-4-(2-methoxy-6-methylphenyl)-1,2,4-triazol-3-yl]methylsulfonyl]butyl]pyrimidine;5-fluoro-2-[(2S)-2-[[5-(furan-2-yl)-4-(2-methoxy-6-methylphenyl)-1,2,4-triazol-3-yl]methylsulfonyl]butyl]pyrimidine
CID 159241618
N-[4-(2,6-dimethoxyphenyl)-5-(6-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide
CID 140771237
bis(2-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-6-methylpyridine);3-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-5-methylpyridine;3-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine
CID 161380539
6-butyl-1-(2,6-dimethoxyphenyl)-2-methyl-4-methylidene-3-[4-(2-methyl-4-pyridinyl)phenyl]sulfonylpyridine
CID 145419658
6-butyl-1-(2,6-dimethoxyphenyl)-2-methyl-4-methylidene-3-[4-(2-methyl-4-pyridinyl)phenyl]sulfonylpyridine;molecular hydrogen
CID 145419657
4-(2,6-dimethoxyphenyl)-N-[2-(5-fluoropyrimidin-2-yl)ethylsulfanyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2,4-triazol-3-amine
CID 142359667

Frequently Asked Questions

What is the IUPAC name of ethane;5-fluoro-2-propylpyrimidine;4-[4-(2-methoxy-6-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-2-methylpyridine?
The IUPAC name of ethane;5-fluoro-2-propylpyrimidine;4-[4-(2-methoxy-6-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-2-methylpyridine (CID 145191463) is ethane;5-fluoro-2-propylpyrimidine;4-[4-(2-methoxy-6-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-2-methylpyridine.
What is the SMILES notation for ethane;5-fluoro-2-propylpyrimidine;4-[4-(2-methoxy-6-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-2-methylpyridine?
The canonical SMILES for ethane;5-fluoro-2-propylpyrimidine;4-[4-(2-methoxy-6-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-2-methylpyridine is CC.CC.CC.CCCc1ncc(F)cn1.COc1cccc(C)c1-n1c(C)nnc1-c1ccnc(C)c1.
What is the InChIKey of ethane;5-fluoro-2-propylpyrimidine;4-[4-(2-methoxy-6-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-2-methylpyridine?
The InChIKey is AHEXZQYSAYTCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O.C7H9FN2.3C2H6/c1-11-6-5-7-15(22-4)16(11)21-13(3)19-20-17(21)14-8-9-18-12(2)10-14;1-2-3-7-9-4-6(8)5-10-7;3*1-2/h5-10H,1-4H3;4-5H,2-3H2,1H3;3*1-2H3.
What are the key properties of ethane;5-fluoro-2-propylpyrimidine;4-[4-(2-methoxy-6-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-2-methylpyridine?
ethane;5-fluoro-2-propylpyrimidine;4-[4-(2-methoxy-6-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-2-methylpyridine has a molecular weight of 524.73 g/mol, XLogP of 7.91, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-fluoro-2-propylpyrimidine;4-[4-(2-methoxy-6-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-2-methylpyridine is sourced from PubChem (CID 145191463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).