2-(2-ethyl-4,6-dimethylpiperazin-1-yl)-5-[3-[1-(2-methylpropyl)triazol-4-yl]propyl]pyrimidine

C21H35N7 — CID 153390698

IUPAC2-(2-ethyl-4,6-dimethylpiperazin-1-yl)-5-[3-[1-(2-methylpropyl)triazol-4-yl]propyl]pyrimidine
SMILESCCC1CN(C)CC(C)N1c1ncc(CCCc2cn(CC(C)C)nn2)cn1
InChIInChI=1S/C21H35N7/c1-6-20-15-26(5)13-17(4)28(20)21-22-10-18(11-23-21)8-7-9-19-14-27(25-24-19)12-16(2)3/h10-11,14,16-17,20H,6-9,12-13,15H2,1-5H3
InChIKeySJTNPFJIJVHTDO-UHFFFAOYSA-N
MW385.56 g/mol
LogP2.82
Rot. Bonds8

About 2-(2-ethyl-4,6-dimethylpiperazin-1-yl)-5-[3-[1-(2-methylpropyl)triazol-4-yl]propyl]pyrimidine

2-(2-ethyl-4,6-dimethylpiperazin-1-yl)-5-[3-[1-(2-methylpropyl)triazol-4-yl]propyl]pyrimidine (PubChem CID 153390698) has the molecular formula C21H35N7 and a molecular weight of 385.56 g/mol. Its IUPAC name is 2-(2-ethyl-4,6-dimethylpiperazin-1-yl)-5-[3-[1-(2-methylpropyl)triazol-4-yl]propyl]pyrimidine.

Molecular Properties

Compound Name2-(2-ethyl-4,6-dimethylpiperazin-1-yl)-5-[3-[1-(2-methylpropyl)triazol-4-yl]propyl]pyrimidine
PubChem CID153390698
Molecular FormulaC21H35N7
Molecular Weight385.56 g/mol
Exact Mass385.30
IUPAC Name2-(2-ethyl-4,6-dimethylpiperazin-1-yl)-5-[3-[1-(2-methylpropyl)triazol-4-yl]propyl]pyrimidine
SMILESCCC1CN(C)CC(C)N1c1ncc(CCCc2cn(CC(C)C)nn2)cn1
InChIInChI=1S/C21H35N7/c1-6-20-15-26(5)13-17(4)28(20)21-22-10-18(11-23-21)8-7-9-19-14-27(25-24-19)12-16(2)3/h10-11,14,16-17,20H,6-9,12-13,15H2,1-5H3
InChIKeySJTNPFJIJVHTDO-UHFFFAOYSA-N
XLogP2.82
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.56
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-4,6-dimethylpiperazin-1-yl)-5-[3-[1-(2-methylpropyl)triazol-4-yl]propyl]pyrimidine?
The IUPAC name of 2-(2-ethyl-4,6-dimethylpiperazin-1-yl)-5-[3-[1-(2-methylpropyl)triazol-4-yl]propyl]pyrimidine (CID 153390698) is 2-(2-ethyl-4,6-dimethylpiperazin-1-yl)-5-[3-[1-(2-methylpropyl)triazol-4-yl]propyl]pyrimidine.
What is the SMILES notation for 2-(2-ethyl-4,6-dimethylpiperazin-1-yl)-5-[3-[1-(2-methylpropyl)triazol-4-yl]propyl]pyrimidine?
The canonical SMILES for 2-(2-ethyl-4,6-dimethylpiperazin-1-yl)-5-[3-[1-(2-methylpropyl)triazol-4-yl]propyl]pyrimidine is CCC1CN(C)CC(C)N1c1ncc(CCCc2cn(CC(C)C)nn2)cn1.
What is the InChIKey of 2-(2-ethyl-4,6-dimethylpiperazin-1-yl)-5-[3-[1-(2-methylpropyl)triazol-4-yl]propyl]pyrimidine?
The InChIKey is SJTNPFJIJVHTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N7/c1-6-20-15-26(5)13-17(4)28(20)21-22-10-18(11-23-21)8-7-9-19-14-27(25-24-19)12-16(2)3/h10-11,14,16-17,20H,6-9,12-13,15H2,1-5H3.
What are the key properties of 2-(2-ethyl-4,6-dimethylpiperazin-1-yl)-5-[3-[1-(2-methylpropyl)triazol-4-yl]propyl]pyrimidine?
2-(2-ethyl-4,6-dimethylpiperazin-1-yl)-5-[3-[1-(2-methylpropyl)triazol-4-yl]propyl]pyrimidine has a molecular weight of 385.56 g/mol, XLogP of 2.82, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-4,6-dimethylpiperazin-1-yl)-5-[3-[1-(2-methylpropyl)triazol-4-yl]propyl]pyrimidine is sourced from PubChem (CID 153390698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).