6-(3-aminocyclobutyl)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine

C15H23N7O — CID 91794404

IUPAC6-(3-aminocyclobutyl)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine
SMILESCOCCn1cnnc1CCNc1cc(C2CC(N)C2)ncn1
InChIInChI=1S/C15H23N7O/c1-23-5-4-22-10-20-21-15(22)2-3-17-14-8-13(18-9-19-14)11-6-12(16)7-11/h8-12H,2-7,16H2,1H3,(H,17,18,19)
InChIKeyUZEQNLVECGLKJN-UHFFFAOYSA-N
MW317.40 g/mol
LogP0.57
Rot. Bonds8

About 6-(3-aminocyclobutyl)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine

6-(3-aminocyclobutyl)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine (PubChem CID 91794404) has the molecular formula C15H23N7O and a molecular weight of 317.40 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine
PubChem CID91794404
Molecular FormulaC15H23N7O
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC Name6-(3-aminocyclobutyl)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine
SMILESCOCCn1cnnc1CCNc1cc(C2CC(N)C2)ncn1
InChIInChI=1S/C15H23N7O/c1-23-5-4-22-10-20-21-15(22)2-3-17-14-8-13(18-9-19-14)11-6-12(16)7-11/h8-12H,2-7,16H2,1H3,(H,17,18,19)
InChIKeyUZEQNLVECGLKJN-UHFFFAOYSA-N
XLogP0.57
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-(3-aminocyclobutyl)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-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 6-(3-aminocyclobutyl)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine?
The IUPAC name of 6-(3-aminocyclobutyl)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine (CID 91794404) is 6-(3-aminocyclobutyl)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-(3-aminocyclobutyl)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine is COCCn1cnnc1CCNc1cc(C2CC(N)C2)ncn1.
What is the InChIKey of 6-(3-aminocyclobutyl)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine?
The InChIKey is UZEQNLVECGLKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O/c1-23-5-4-22-10-20-21-15(22)2-3-17-14-8-13(18-9-19-14)11-6-12(16)7-11/h8-12H,2-7,16H2,1H3,(H,17,18,19).
What are the key properties of 6-(3-aminocyclobutyl)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine?
6-(3-aminocyclobutyl)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine has a molecular weight of 317.40 g/mol, XLogP of 0.57, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine is sourced from PubChem (CID 91794404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).