2-ethyl-4-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-6-methylpyrimidine

C15H22N6O — CID 128975809

IUPAC2-ethyl-4-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-6-methylpyrimidine
SMILESCCc1nc(C)cc(N2C[C@H](OC)C[C@H]2c2n[nH]c(C)n2)n1
InChIInChI=1S/C15H22N6O/c1-5-13-16-9(2)6-14(18-13)21-8-11(22-4)7-12(21)15-17-10(3)19-20-15/h6,11-12H,5,7-8H2,1-4H3,(H,17,19,20)/t11-,12+/m1/s1
InChIKeyBKKGTBWMDJRUFB-NEPJUHHUSA-N
MW302.38 g/mol
LogP1.74
Rot. Bonds4

About 2-ethyl-4-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-6-methylpyrimidine

2-ethyl-4-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-6-methylpyrimidine (PubChem CID 128975809) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-ethyl-4-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-6-methylpyrimidine.

Molecular Properties

Compound Name2-ethyl-4-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-6-methylpyrimidine
PubChem CID128975809
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name2-ethyl-4-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-6-methylpyrimidine
SMILESCCc1nc(C)cc(N2C[C@H](OC)C[C@H]2c2n[nH]c(C)n2)n1
InChIInChI=1S/C15H22N6O/c1-5-13-16-9(2)6-14(18-13)21-8-11(22-4)7-12(21)15-17-10(3)19-20-15/h6,11-12H,5,7-8H2,1-4H3,(H,17,19,20)/t11-,12+/m1/s1
InChIKeyBKKGTBWMDJRUFB-NEPJUHHUSA-N
XLogP1.74
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
CID 128980032
5-[(2R,4R)-4-methoxy-1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 128973713
3-[(2S,4R)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxypyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
CID 128980073
[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 128985134
3-[(2S,4R)-1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-methoxypyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
CID 128980071
(3S,5R)-1-(2-ethyl-6-methylpyrimidin-4-yl)-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 100647139
4-fluoro-2-[[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]benzonitrile
CID 128982694
3-(4-fluorophenyl)-1-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]propan-1-one
CID 128985133
(3-cyclopropyl-1,2-oxazol-5-yl)-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 128985363
3-[(2S,4R)-4-methoxy-1-[(2-phenyltriazol-4-yl)methyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
CID 128980123
2-ethyl-4,6-dimethylpyrimidine
CID 23533396
2-ethyl-4-methyl-6-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine
CID 119038345

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-6-methylpyrimidine?
The IUPAC name of 2-ethyl-4-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-6-methylpyrimidine (CID 128975809) is 2-ethyl-4-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-6-methylpyrimidine.
What is the SMILES notation for 2-ethyl-4-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-6-methylpyrimidine?
The canonical SMILES for 2-ethyl-4-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-6-methylpyrimidine is CCc1nc(C)cc(N2C[C@H](OC)C[C@H]2c2n[nH]c(C)n2)n1.
What is the InChIKey of 2-ethyl-4-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-6-methylpyrimidine?
The InChIKey is BKKGTBWMDJRUFB-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H22N6O/c1-5-13-16-9(2)6-14(18-13)21-8-11(22-4)7-12(21)15-17-10(3)19-20-15/h6,11-12H,5,7-8H2,1-4H3,(H,17,19,20)/t11-,12+/m1/s1.
What are the key properties of 2-ethyl-4-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-6-methylpyrimidine?
2-ethyl-4-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-6-methylpyrimidine has a molecular weight of 302.38 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-6-methylpyrimidine is sourced from PubChem (CID 128975809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).