6-[(5-chloro-2-pyridinyl)sulfanyl]-N,2-diethylpyrimidin-4-amine

C13H15ClN4S — CID 80936963

IUPAC6-[(5-chloro-2-pyridinyl)sulfanyl]-N,2-diethylpyrimidin-4-amine
SMILESCCNc1cc(Sc2ccc(Cl)cn2)nc(CC)n1
InChIInChI=1S/C13H15ClN4S/c1-3-10-17-11(15-4-2)7-13(18-10)19-12-6-5-9(14)8-16-12/h5-8H,3-4H2,1-2H3,(H,15,17,18)
InChIKeyRXXGNUKKAFVRKN-UHFFFAOYSA-N
MW294.81 g/mol
LogP3.67
Rot. Bonds5

About 6-[(5-chloro-2-pyridinyl)sulfanyl]-N,2-diethylpyrimidin-4-amine

6-[(5-chloro-2-pyridinyl)sulfanyl]-N,2-diethylpyrimidin-4-amine (PubChem CID 80936963) has the molecular formula C13H15ClN4S and a molecular weight of 294.81 g/mol. Its IUPAC name is 6-[(5-chloro-2-pyridinyl)sulfanyl]-N,2-diethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(5-chloro-2-pyridinyl)sulfanyl]-N,2-diethylpyrimidin-4-amine
PubChem CID80936963
Molecular FormulaC13H15ClN4S
Molecular Weight294.81 g/mol
Exact Mass294.07
IUPAC Name6-[(5-chloro-2-pyridinyl)sulfanyl]-N,2-diethylpyrimidin-4-amine
SMILESCCNc1cc(Sc2ccc(Cl)cn2)nc(CC)n1
InChIInChI=1S/C13H15ClN4S/c1-3-10-17-11(15-4-2)7-13(18-10)19-12-6-5-9(14)8-16-12/h5-8H,3-4H2,1-2H3,(H,15,17,18)
InChIKeyRXXGNUKKAFVRKN-UHFFFAOYSA-N
XLogP3.67
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80964942
6-[(5-chloro-2-pyridinyl)sulfanyl]-2-ethylpyrimidin-4-amine
CID 80937974
6-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-4-amine
CID 80890451
6-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-2-propylpyrimidin-4-amine
CID 80947795
N,2-diethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80937649
5-chloro-4-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-2-amine
CID 80890456
4-N-[2-(4-chlorophenyl)ethyl]-6-N,2-diethylpyrimidine-4,6-diamine
CID 80939872
4-N-(2,5-dichlorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80933323
4-N-(5-chloro-2-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934267
[6-(3-chlorophenyl)sulfanyl-2-ethylpyrimidin-4-yl]hydrazine
CID 80939919
5-bromo-4-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-2-amine
CID 80890895
6-(4-bromophenyl)sulfanyl-N-ethyl-2-propylpyrimidin-4-amine
CID 80949865

Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-2-pyridinyl)sulfanyl]-N,2-diethylpyrimidin-4-amine?
The IUPAC name of 6-[(5-chloro-2-pyridinyl)sulfanyl]-N,2-diethylpyrimidin-4-amine (CID 80936963) is 6-[(5-chloro-2-pyridinyl)sulfanyl]-N,2-diethylpyrimidin-4-amine.
What is the SMILES notation for 6-[(5-chloro-2-pyridinyl)sulfanyl]-N,2-diethylpyrimidin-4-amine?
The canonical SMILES for 6-[(5-chloro-2-pyridinyl)sulfanyl]-N,2-diethylpyrimidin-4-amine is CCNc1cc(Sc2ccc(Cl)cn2)nc(CC)n1.
What is the InChIKey of 6-[(5-chloro-2-pyridinyl)sulfanyl]-N,2-diethylpyrimidin-4-amine?
The InChIKey is RXXGNUKKAFVRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4S/c1-3-10-17-11(15-4-2)7-13(18-10)19-12-6-5-9(14)8-16-12/h5-8H,3-4H2,1-2H3,(H,15,17,18).
What are the key properties of 6-[(5-chloro-2-pyridinyl)sulfanyl]-N,2-diethylpyrimidin-4-amine?
6-[(5-chloro-2-pyridinyl)sulfanyl]-N,2-diethylpyrimidin-4-amine has a molecular weight of 294.81 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloro-2-pyridinyl)sulfanyl]-N,2-diethylpyrimidin-4-amine is sourced from PubChem (CID 80936963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).