N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-2-amine

C11H16N6O — CID 72904896

IUPACN-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-2-amine
SMILESCOCCn1cnnc1CCNc1ncccn1
InChIInChI=1S/C11H16N6O/c1-18-8-7-17-9-15-16-10(17)3-6-14-11-12-4-2-5-13-11/h2,4-5,9H,3,6-8H2,1H3,(H,12,13,14)
InChIKeyUTHOIYUHVATHHM-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.37
Rot. Bonds7

About N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-2-amine

N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-2-amine (PubChem CID 72904896) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-2-amine
PubChem CID72904896
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC NameN-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-2-amine
SMILESCOCCn1cnnc1CCNc1ncccn1
InChIInChI=1S/C11H16N6O/c1-18-8-7-17-9-15-16-10(17)3-6-14-11-12-4-2-5-13-11/h2,4-5,9H,3,6-8H2,1H3,(H,12,13,14)
InChIKeyUTHOIYUHVATHHM-UHFFFAOYSA-N
XLogP0.37
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-2-amine?
The IUPAC name of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-2-amine (CID 72904896) is N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-2-amine.
What is the SMILES notation for N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-2-amine?
The canonical SMILES for N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-2-amine is COCCn1cnnc1CCNc1ncccn1.
What is the InChIKey of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-2-amine?
The InChIKey is UTHOIYUHVATHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-18-8-7-17-9-15-16-10(17)3-6-14-11-12-4-2-5-13-11/h2,4-5,9H,3,6-8H2,1H3,(H,12,13,14).
What are the key properties of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-2-amine?
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-2-amine has a molecular weight of 248.29 g/mol, XLogP of 0.37, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-2-amine is sourced from PubChem (CID 72904896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).