6-[6-(2-aminoethoxy)-5-chloro-3-pyridinyl]-N-(oxolan-3-yl)pyrimidin-4-amine

C15H18ClN5O2 — CID 137472092

IUPAC6-[6-(2-aminoethoxy)-5-chloro-3-pyridinyl]-N-(oxolan-3-yl)pyrimidin-4-amine
SMILESNCCOc1ncc(-c2cc(NC3CCOC3)ncn2)cc1Cl
InChIInChI=1S/C15H18ClN5O2/c16-12-5-10(7-18-15(12)23-4-2-17)13-6-14(20-9-19-13)21-11-1-3-22-8-11/h5-7,9,11H,1-4,8,17H2,(H,19,20,21)
InChIKeyWWWITHVAOXKKQG-UHFFFAOYSA-N
MW335.80 g/mol
LogP1.73
Rot. Bonds6

About 6-[6-(2-aminoethoxy)-5-chloro-3-pyridinyl]-N-(oxolan-3-yl)pyrimidin-4-amine

6-[6-(2-aminoethoxy)-5-chloro-3-pyridinyl]-N-(oxolan-3-yl)pyrimidin-4-amine (PubChem CID 137472092) has the molecular formula C15H18ClN5O2 and a molecular weight of 335.80 g/mol. Its IUPAC name is 6-[6-(2-aminoethoxy)-5-chloro-3-pyridinyl]-N-(oxolan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-[6-(2-aminoethoxy)-5-chloro-3-pyridinyl]-N-(oxolan-3-yl)pyrimidin-4-amine
PubChem CID137472092
Molecular FormulaC15H18ClN5O2
Molecular Weight335.80 g/mol
Exact Mass335.11
IUPAC Name6-[6-(2-aminoethoxy)-5-chloro-3-pyridinyl]-N-(oxolan-3-yl)pyrimidin-4-amine
SMILESNCCOc1ncc(-c2cc(NC3CCOC3)ncn2)cc1Cl
InChIInChI=1S/C15H18ClN5O2/c16-12-5-10(7-18-15(12)23-4-2-17)13-6-14(20-9-19-13)21-11-1-3-22-8-11/h5-7,9,11H,1-4,8,17H2,(H,19,20,21)
InChIKeyWWWITHVAOXKKQG-UHFFFAOYSA-N
XLogP1.73
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[6-(2-aminoethoxy)-5-chloro-3-pyridinyl]-N-(oxolan-3-yl)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-[6-(2-aminoethoxy)-5-chloro-3-pyridinyl]-N-(oxolan-3-yl)pyrimidin-4-amine?
The IUPAC name of 6-[6-(2-aminoethoxy)-5-chloro-3-pyridinyl]-N-(oxolan-3-yl)pyrimidin-4-amine (CID 137472092) is 6-[6-(2-aminoethoxy)-5-chloro-3-pyridinyl]-N-(oxolan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-[6-(2-aminoethoxy)-5-chloro-3-pyridinyl]-N-(oxolan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 6-[6-(2-aminoethoxy)-5-chloro-3-pyridinyl]-N-(oxolan-3-yl)pyrimidin-4-amine is NCCOc1ncc(-c2cc(NC3CCOC3)ncn2)cc1Cl.
What is the InChIKey of 6-[6-(2-aminoethoxy)-5-chloro-3-pyridinyl]-N-(oxolan-3-yl)pyrimidin-4-amine?
The InChIKey is WWWITHVAOXKKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O2/c16-12-5-10(7-18-15(12)23-4-2-17)13-6-14(20-9-19-13)21-11-1-3-22-8-11/h5-7,9,11H,1-4,8,17H2,(H,19,20,21).
What are the key properties of 6-[6-(2-aminoethoxy)-5-chloro-3-pyridinyl]-N-(oxolan-3-yl)pyrimidin-4-amine?
6-[6-(2-aminoethoxy)-5-chloro-3-pyridinyl]-N-(oxolan-3-yl)pyrimidin-4-amine has a molecular weight of 335.80 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(2-aminoethoxy)-5-chloro-3-pyridinyl]-N-(oxolan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 137472092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).