6-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-propylpyrimidin-4-amine

C13H15Cl2N3S — CID 63729127

IUPAC6-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1NC(C)c1ccc(Cl)s1
InChIInChI=1S/C13H15Cl2N3S/c1-3-4-9-12(15)16-7-17-13(9)18-8(2)10-5-6-11(14)19-10/h5-8H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyYHWFHIRPZQURAL-UHFFFAOYSA-N
MW316.26 g/mol
LogP4.97
Rot. Bonds5

About 6-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-propylpyrimidin-4-amine

6-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-propylpyrimidin-4-amine (PubChem CID 63729127) has the molecular formula C13H15Cl2N3S and a molecular weight of 316.26 g/mol. Its IUPAC name is 6-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-propylpyrimidin-4-amine
PubChem CID63729127
Molecular FormulaC13H15Cl2N3S
Molecular Weight316.26 g/mol
Exact Mass315.04
IUPAC Name6-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1NC(C)c1ccc(Cl)s1
InChIInChI=1S/C13H15Cl2N3S/c1-3-4-9-12(15)16-7-17-13(9)18-8(2)10-5-6-11(14)19-10/h5-8H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyYHWFHIRPZQURAL-UHFFFAOYSA-N
XLogP4.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-propylpyrimidin-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-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-propylpyrimidin-4-amine (CID 63729127) is 6-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-propylpyrimidin-4-amine is CCCc1c(Cl)ncnc1NC(C)c1ccc(Cl)s1.
What is the InChIKey of 6-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-propylpyrimidin-4-amine?
The InChIKey is YHWFHIRPZQURAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3S/c1-3-4-9-12(15)16-7-17-13(9)18-8(2)10-5-6-11(14)19-10/h5-8H,3-4H2,1-2H3,(H,16,17,18).
What are the key properties of 6-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-propylpyrimidin-4-amine?
6-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-propylpyrimidin-4-amine has a molecular weight of 316.26 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-propylpyrimidin-4-amine is sourced from PubChem (CID 63729127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).