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

C15H22N6O — CID 128978370

IUPAC4-ethyl-6-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-methylpyrimidine
SMILESCCc1cc(N2C[C@H](OC)C[C@H]2c2nncn2C)nc(C)n1
InChIInChI=1S/C15H22N6O/c1-5-11-6-14(18-10(2)17-11)21-8-12(22-4)7-13(21)15-19-16-9-20(15)3/h6,9,12-13H,5,7-8H2,1-4H3/t12-,13+/m1/s1
InChIKeyACVKSZKYMRVEIB-OLZOCXBDSA-N
MW302.38 g/mol
LogP1.44
Rot. Bonds4

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

4-ethyl-6-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-methylpyrimidine (PubChem CID 128978370) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-ethyl-6-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-methylpyrimidine.

Molecular Properties

Compound Name4-ethyl-6-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-methylpyrimidine
PubChem CID128978370
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name4-ethyl-6-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-methylpyrimidine
SMILESCCc1cc(N2C[C@H](OC)C[C@H]2c2nncn2C)nc(C)n1
InChIInChI=1S/C15H22N6O/c1-5-11-6-14(18-10(2)17-11)21-8-12(22-4)7-13(21)15-19-16-9-20(15)3/h6,9,12-13H,5,7-8H2,1-4H3/t12-,13+/m1/s1
InChIKeyACVKSZKYMRVEIB-OLZOCXBDSA-N
XLogP1.44
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-methylpyrimidine?
The IUPAC name of 4-ethyl-6-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-methylpyrimidine (CID 128978370) is 4-ethyl-6-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-methylpyrimidine.
What is the SMILES notation for 4-ethyl-6-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-methylpyrimidine?
The canonical SMILES for 4-ethyl-6-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-methylpyrimidine is CCc1cc(N2C[C@H](OC)C[C@H]2c2nncn2C)nc(C)n1.
What is the InChIKey of 4-ethyl-6-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-methylpyrimidine?
The InChIKey is ACVKSZKYMRVEIB-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H22N6O/c1-5-11-6-14(18-10(2)17-11)21-8-12(22-4)7-13(21)15-19-16-9-20(15)3/h6,9,12-13H,5,7-8H2,1-4H3/t12-,13+/m1/s1.
What are the key properties of 4-ethyl-6-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-methylpyrimidine?
4-ethyl-6-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-methylpyrimidine has a molecular weight of 302.38 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-methylpyrimidine is sourced from PubChem (CID 128978370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).