5-chloro-N-(2,3-dimethoxypropyl)-2-methoxypyrimidin-4-amine

C10H16ClN3O3 — CID 113368832

IUPAC5-chloro-N-(2,3-dimethoxypropyl)-2-methoxypyrimidin-4-amine
SMILESCOCC(CNc1nc(OC)ncc1Cl)OC
InChIInChI=1S/C10H16ClN3O3/c1-15-6-7(16-2)4-12-9-8(11)5-13-10(14-9)17-3/h5,7H,4,6H2,1-3H3,(H,12,13,14)
InChIKeyAZWROYOXKKPFBU-UHFFFAOYSA-N
MW261.71 g/mol
LogP1.21
Rot. Bonds7

About 5-chloro-N-(2,3-dimethoxypropyl)-2-methoxypyrimidin-4-amine

5-chloro-N-(2,3-dimethoxypropyl)-2-methoxypyrimidin-4-amine (PubChem CID 113368832) has the molecular formula C10H16ClN3O3 and a molecular weight of 261.71 g/mol. Its IUPAC name is 5-chloro-N-(2,3-dimethoxypropyl)-2-methoxypyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-(2,3-dimethoxypropyl)-2-methoxypyrimidin-4-amine
PubChem CID113368832
Molecular FormulaC10H16ClN3O3
Molecular Weight261.71 g/mol
Exact Mass261.09
IUPAC Name5-chloro-N-(2,3-dimethoxypropyl)-2-methoxypyrimidin-4-amine
SMILESCOCC(CNc1nc(OC)ncc1Cl)OC
InChIInChI=1S/C10H16ClN3O3/c1-15-6-7(16-2)4-12-9-8(11)5-13-10(14-9)17-3/h5,7H,4,6H2,1-3H3,(H,12,13,14)
InChIKeyAZWROYOXKKPFBU-UHFFFAOYSA-N
XLogP1.21
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-(2,3-dimethoxypropyl)-2-methoxypyrimidin-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 5-chloro-N-(2,3-dimethoxypropyl)-2-methoxypyrimidin-4-amine?
The IUPAC name of 5-chloro-N-(2,3-dimethoxypropyl)-2-methoxypyrimidin-4-amine (CID 113368832) is 5-chloro-N-(2,3-dimethoxypropyl)-2-methoxypyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-(2,3-dimethoxypropyl)-2-methoxypyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-(2,3-dimethoxypropyl)-2-methoxypyrimidin-4-amine is COCC(CNc1nc(OC)ncc1Cl)OC.
What is the InChIKey of 5-chloro-N-(2,3-dimethoxypropyl)-2-methoxypyrimidin-4-amine?
The InChIKey is AZWROYOXKKPFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O3/c1-15-6-7(16-2)4-12-9-8(11)5-13-10(14-9)17-3/h5,7H,4,6H2,1-3H3,(H,12,13,14).
What are the key properties of 5-chloro-N-(2,3-dimethoxypropyl)-2-methoxypyrimidin-4-amine?
5-chloro-N-(2,3-dimethoxypropyl)-2-methoxypyrimidin-4-amine has a molecular weight of 261.71 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,3-dimethoxypropyl)-2-methoxypyrimidin-4-amine is sourced from PubChem (CID 113368832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).