6-chloro-4-N-[2-(dimethylamino)ethyl]-2-N,2-N-dimethyl-5-methylsulfanylpyrimidine-2,4-diamine

C11H20ClN5S — CID 3043359

IUPAC6-chloro-4-N-[2-(dimethylamino)ethyl]-2-N,2-N-dimethyl-5-methylsulfanylpyrimidine-2,4-diamine
SMILESCSc1c(Cl)nc(N(C)C)nc1NCCN(C)C
InChIInChI=1S/C11H20ClN5S/c1-16(2)7-6-13-10-8(18-5)9(12)14-11(15-10)17(3)4/h6-7H2,1-5H3,(H,13,14,15)
InChIKeyPNWLIPBDOXGSEU-UHFFFAOYSA-N
MW289.84 g/mol
LogP1.89
Rot. Bonds6

About 6-chloro-4-N-[2-(dimethylamino)ethyl]-2-N,2-N-dimethyl-5-methylsulfanylpyrimidine-2,4-diamine

6-chloro-4-N-[2-(dimethylamino)ethyl]-2-N,2-N-dimethyl-5-methylsulfanylpyrimidine-2,4-diamine (PubChem CID 3043359) has the molecular formula C11H20ClN5S and a molecular weight of 289.84 g/mol. Its IUPAC name is 6-chloro-4-N-[2-(dimethylamino)ethyl]-2-N,2-N-dimethyl-5-methylsulfanylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[2-(dimethylamino)ethyl]-2-N,2-N-dimethyl-5-methylsulfanylpyrimidine-2,4-diamine
PubChem CID3043359
Molecular FormulaC11H20ClN5S
Molecular Weight289.84 g/mol
Exact Mass289.11
IUPAC Name6-chloro-4-N-[2-(dimethylamino)ethyl]-2-N,2-N-dimethyl-5-methylsulfanylpyrimidine-2,4-diamine
SMILESCSc1c(Cl)nc(N(C)C)nc1NCCN(C)C
InChIInChI=1S/C11H20ClN5S/c1-16(2)7-6-13-10-8(18-5)9(12)14-11(15-10)17(3)4/h6-7H2,1-5H3,(H,13,14,15)
InChIKeyPNWLIPBDOXGSEU-UHFFFAOYSA-N
XLogP1.89
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.84
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-4-N-[2-(dimethylamino)ethyl]-2-N,2-N-dimethyl-5-methylsulfanylpyrimidine-2,4-diamine 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-4-N-[2-(dimethylamino)ethyl]-2-N,2-N-dimethyl-5-methylsulfanylpyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-[2-(dimethylamino)ethyl]-2-N,2-N-dimethyl-5-methylsulfanylpyrimidine-2,4-diamine (CID 3043359) is 6-chloro-4-N-[2-(dimethylamino)ethyl]-2-N,2-N-dimethyl-5-methylsulfanylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-[2-(dimethylamino)ethyl]-2-N,2-N-dimethyl-5-methylsulfanylpyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-[2-(dimethylamino)ethyl]-2-N,2-N-dimethyl-5-methylsulfanylpyrimidine-2,4-diamine is CSc1c(Cl)nc(N(C)C)nc1NCCN(C)C.
What is the InChIKey of 6-chloro-4-N-[2-(dimethylamino)ethyl]-2-N,2-N-dimethyl-5-methylsulfanylpyrimidine-2,4-diamine?
The InChIKey is PNWLIPBDOXGSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN5S/c1-16(2)7-6-13-10-8(18-5)9(12)14-11(15-10)17(3)4/h6-7H2,1-5H3,(H,13,14,15).
What are the key properties of 6-chloro-4-N-[2-(dimethylamino)ethyl]-2-N,2-N-dimethyl-5-methylsulfanylpyrimidine-2,4-diamine?
6-chloro-4-N-[2-(dimethylamino)ethyl]-2-N,2-N-dimethyl-5-methylsulfanylpyrimidine-2,4-diamine has a molecular weight of 289.84 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[2-(dimethylamino)ethyl]-2-N,2-N-dimethyl-5-methylsulfanylpyrimidine-2,4-diamine is sourced from PubChem (CID 3043359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).