6-chloro-4-N-[2-(diethylamino)ethyl]-2-N,2-N-diethyl-5-methylsulfanylpyrimidine-2,4-diamine

C15H28ClN5S — CID 3043352

IUPAC6-chloro-4-N-[2-(diethylamino)ethyl]-2-N,2-N-diethyl-5-methylsulfanylpyrimidine-2,4-diamine
SMILESCCN(CC)CCNc1nc(N(CC)CC)nc(Cl)c1SC
InChIInChI=1S/C15H28ClN5S/c1-6-20(7-2)11-10-17-14-12(22-5)13(16)18-15(19-14)21(8-3)9-4/h6-11H2,1-5H3,(H,17,18,19)
InChIKeyZMMMVCQGNKKXNZ-UHFFFAOYSA-N
MW345.94 g/mol
LogP3.45
Rot. Bonds10

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

6-chloro-4-N-[2-(diethylamino)ethyl]-2-N,2-N-diethyl-5-methylsulfanylpyrimidine-2,4-diamine (PubChem CID 3043352) has the molecular formula C15H28ClN5S and a molecular weight of 345.94 g/mol. Its IUPAC name is 6-chloro-4-N-[2-(diethylamino)ethyl]-2-N,2-N-diethyl-5-methylsulfanylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[2-(diethylamino)ethyl]-2-N,2-N-diethyl-5-methylsulfanylpyrimidine-2,4-diamine
PubChem CID3043352
Molecular FormulaC15H28ClN5S
Molecular Weight345.94 g/mol
Exact Mass345.18
IUPAC Name6-chloro-4-N-[2-(diethylamino)ethyl]-2-N,2-N-diethyl-5-methylsulfanylpyrimidine-2,4-diamine
SMILESCCN(CC)CCNc1nc(N(CC)CC)nc(Cl)c1SC
InChIInChI=1S/C15H28ClN5S/c1-6-20(7-2)11-10-17-14-12(22-5)13(16)18-15(19-14)21(8-3)9-4/h6-11H2,1-5H3,(H,17,18,19)
InChIKeyZMMMVCQGNKKXNZ-UHFFFAOYSA-N
XLogP3.45
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.94
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[2-(diethylamino)ethyl]-2-N,2-N-diethyl-5-methylsulfanylpyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-[2-(diethylamino)ethyl]-2-N,2-N-diethyl-5-methylsulfanylpyrimidine-2,4-diamine (CID 3043352) is 6-chloro-4-N-[2-(diethylamino)ethyl]-2-N,2-N-diethyl-5-methylsulfanylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-[2-(diethylamino)ethyl]-2-N,2-N-diethyl-5-methylsulfanylpyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-[2-(diethylamino)ethyl]-2-N,2-N-diethyl-5-methylsulfanylpyrimidine-2,4-diamine is CCN(CC)CCNc1nc(N(CC)CC)nc(Cl)c1SC.
What is the InChIKey of 6-chloro-4-N-[2-(diethylamino)ethyl]-2-N,2-N-diethyl-5-methylsulfanylpyrimidine-2,4-diamine?
The InChIKey is ZMMMVCQGNKKXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClN5S/c1-6-20(7-2)11-10-17-14-12(22-5)13(16)18-15(19-14)21(8-3)9-4/h6-11H2,1-5H3,(H,17,18,19).
What are the key properties of 6-chloro-4-N-[2-(diethylamino)ethyl]-2-N,2-N-diethyl-5-methylsulfanylpyrimidine-2,4-diamine?
6-chloro-4-N-[2-(diethylamino)ethyl]-2-N,2-N-diethyl-5-methylsulfanylpyrimidine-2,4-diamine has a molecular weight of 345.94 g/mol, XLogP of 3.45, 10 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-(diethylamino)ethyl]-2-N,2-N-diethyl-5-methylsulfanylpyrimidine-2,4-diamine is sourced from PubChem (CID 3043352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).