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

C13H24ClN5S — CID 3043348

IUPAC6-chloro-4-N-[2-(diethylamino)ethyl]-2-N,2-N-dimethyl-5-methylsulfanylpyrimidine-2,4-diamine
SMILESCCN(CC)CCNc1nc(N(C)C)nc(Cl)c1SC
InChIInChI=1S/C13H24ClN5S/c1-6-19(7-2)9-8-15-12-10(20-5)11(14)16-13(17-12)18(3)4/h6-9H2,1-5H3,(H,15,16,17)
InChIKeyPMSWIYDRFMOOAK-UHFFFAOYSA-N
MW317.89 g/mol
LogP2.67
Rot. Bonds8

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

6-chloro-4-N-[2-(diethylamino)ethyl]-2-N,2-N-dimethyl-5-methylsulfanylpyrimidine-2,4-diamine (PubChem CID 3043348) has the molecular formula C13H24ClN5S and a molecular weight of 317.89 g/mol. Its IUPAC name is 6-chloro-4-N-[2-(diethylamino)ethyl]-2-N,2-N-dimethyl-5-methylsulfanylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[2-(diethylamino)ethyl]-2-N,2-N-dimethyl-5-methylsulfanylpyrimidine-2,4-diamine
PubChem CID3043348
Molecular FormulaC13H24ClN5S
Molecular Weight317.89 g/mol
Exact Mass317.14
IUPAC Name6-chloro-4-N-[2-(diethylamino)ethyl]-2-N,2-N-dimethyl-5-methylsulfanylpyrimidine-2,4-diamine
SMILESCCN(CC)CCNc1nc(N(C)C)nc(Cl)c1SC
InChIInChI=1S/C13H24ClN5S/c1-6-19(7-2)9-8-15-12-10(20-5)11(14)16-13(17-12)18(3)4/h6-9H2,1-5H3,(H,15,16,17)
InChIKeyPMSWIYDRFMOOAK-UHFFFAOYSA-N
XLogP2.67
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.89
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Chloro-N-methyl-6-(4-methyl-1-piperazinyl)-5-(methylthio)-2-pyrimidinamine
CID 68678
Iprozilamine
CID 68725
4-Chloro-6-(4-methyl-1-piperazinyl)-5-(methylthio)-2-pyrimidinamine
CID 91939
Pyrimidine, 4-chloro-2-ethylamino-6-(4-methylpiperazino)-5-methylthio-
CID 108720
2-Pyrimidinamine, 4-chloro-N-hexyl-6-(4-methyl-1-piperazinyl)-5-(methylthio)-
CID 3042442
2-Pyrimidinamine, 4-chloro-6-(4-methyl-1-piperazinyl)-5-(methylthio)-N-propyl-
CID 3042446
2-Pyrimidinamine, N-butyl-4-chloro-6-(4-methyl-1-piperazinyl)-5-(methylthio)-
CID 3042447
6-chloro-5-methylsulfanyl-2-piperazin-1-yl-N-propan-2-ylpyrimidin-4-amine
CID 13151100
6-chloro-2-(4-methylpiperazin-1-yl)-5-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine
CID 13151104
Pyrimidine, 4-chloro-2-(tert-butylamino)-6-(4-methylpiperazino)-5-methylthio-
CID 108721
Pyrimidine, 4-chloro-6-(2-hydroxyethylpiperazino)-2-methylamino-5-methylthio
CID 108722
N-[4-chloro-6-(cyclohexylamino)-5-(methylsulfanyl)-2-pyrimidinyl]-N-methylamine
CID 1475487

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[2-(diethylamino)ethyl]-2-N,2-N-dimethyl-5-methylsulfanylpyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-[2-(diethylamino)ethyl]-2-N,2-N-dimethyl-5-methylsulfanylpyrimidine-2,4-diamine (CID 3043348) is 6-chloro-4-N-[2-(diethylamino)ethyl]-2-N,2-N-dimethyl-5-methylsulfanylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-[2-(diethylamino)ethyl]-2-N,2-N-dimethyl-5-methylsulfanylpyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-[2-(diethylamino)ethyl]-2-N,2-N-dimethyl-5-methylsulfanylpyrimidine-2,4-diamine is CCN(CC)CCNc1nc(N(C)C)nc(Cl)c1SC.
What is the InChIKey of 6-chloro-4-N-[2-(diethylamino)ethyl]-2-N,2-N-dimethyl-5-methylsulfanylpyrimidine-2,4-diamine?
The InChIKey is PMSWIYDRFMOOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN5S/c1-6-19(7-2)9-8-15-12-10(20-5)11(14)16-13(17-12)18(3)4/h6-9H2,1-5H3,(H,15,16,17).
What are the key properties of 6-chloro-4-N-[2-(diethylamino)ethyl]-2-N,2-N-dimethyl-5-methylsulfanylpyrimidine-2,4-diamine?
6-chloro-4-N-[2-(diethylamino)ethyl]-2-N,2-N-dimethyl-5-methylsulfanylpyrimidine-2,4-diamine has a molecular weight of 317.89 g/mol, XLogP of 2.67, 8 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-dimethyl-5-methylsulfanylpyrimidine-2,4-diamine is sourced from PubChem (CID 3043348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).