2-(methoxymethyl)-5-[1-[2-(1,2,4-triazol-4-yl)ethyl]imidazol-2-yl]pyrimidine

C13H15N7O — CID 70749056

IUPAC2-(methoxymethyl)-5-[1-[2-(1,2,4-triazol-4-yl)ethyl]imidazol-2-yl]pyrimidine
SMILESCOCc1ncc(-c2nccn2CCn2cnnc2)cn1
InChIInChI=1S/C13H15N7O/c1-21-8-12-15-6-11(7-16-12)13-14-2-3-20(13)5-4-19-9-17-18-10-19/h2-3,6-7,9-10H,4-5,8H2,1H3
InChIKeyXCMCHLJBQRWSQA-UHFFFAOYSA-N
MW285.31 g/mol
LogP0.78
Rot. Bonds6

About 2-(methoxymethyl)-5-[1-[2-(1,2,4-triazol-4-yl)ethyl]imidazol-2-yl]pyrimidine

2-(methoxymethyl)-5-[1-[2-(1,2,4-triazol-4-yl)ethyl]imidazol-2-yl]pyrimidine (PubChem CID 70749056) has the molecular formula C13H15N7O and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-(methoxymethyl)-5-[1-[2-(1,2,4-triazol-4-yl)ethyl]imidazol-2-yl]pyrimidine.

Molecular Properties

Compound Name2-(methoxymethyl)-5-[1-[2-(1,2,4-triazol-4-yl)ethyl]imidazol-2-yl]pyrimidine
PubChem CID70749056
Molecular FormulaC13H15N7O
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name2-(methoxymethyl)-5-[1-[2-(1,2,4-triazol-4-yl)ethyl]imidazol-2-yl]pyrimidine
SMILESCOCc1ncc(-c2nccn2CCn2cnnc2)cn1
InChIInChI=1S/C13H15N7O/c1-21-8-12-15-6-11(7-16-12)13-14-2-3-20(13)5-4-19-9-17-18-10-19/h2-3,6-7,9-10H,4-5,8H2,1H3
InChIKeyXCMCHLJBQRWSQA-UHFFFAOYSA-N
XLogP0.78
TPSA83.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-5-[1-[2-(1,2,4-triazol-4-yl)ethyl]imidazol-2-yl]pyrimidine?
The IUPAC name of 2-(methoxymethyl)-5-[1-[2-(1,2,4-triazol-4-yl)ethyl]imidazol-2-yl]pyrimidine (CID 70749056) is 2-(methoxymethyl)-5-[1-[2-(1,2,4-triazol-4-yl)ethyl]imidazol-2-yl]pyrimidine.
What is the SMILES notation for 2-(methoxymethyl)-5-[1-[2-(1,2,4-triazol-4-yl)ethyl]imidazol-2-yl]pyrimidine?
The canonical SMILES for 2-(methoxymethyl)-5-[1-[2-(1,2,4-triazol-4-yl)ethyl]imidazol-2-yl]pyrimidine is COCc1ncc(-c2nccn2CCn2cnnc2)cn1.
What is the InChIKey of 2-(methoxymethyl)-5-[1-[2-(1,2,4-triazol-4-yl)ethyl]imidazol-2-yl]pyrimidine?
The InChIKey is XCMCHLJBQRWSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7O/c1-21-8-12-15-6-11(7-16-12)13-14-2-3-20(13)5-4-19-9-17-18-10-19/h2-3,6-7,9-10H,4-5,8H2,1H3.
What are the key properties of 2-(methoxymethyl)-5-[1-[2-(1,2,4-triazol-4-yl)ethyl]imidazol-2-yl]pyrimidine?
2-(methoxymethyl)-5-[1-[2-(1,2,4-triazol-4-yl)ethyl]imidazol-2-yl]pyrimidine has a molecular weight of 285.31 g/mol, XLogP of 0.78, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5-[1-[2-(1,2,4-triazol-4-yl)ethyl]imidazol-2-yl]pyrimidine is sourced from PubChem (CID 70749056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).