2-[(3-chloro-2-pyridinyl)sulfanylmethyl]-N-ethyl-6-methylpyrimidin-4-amine

C13H15ClN4S — CID 80654807

IUPAC2-[(3-chloro-2-pyridinyl)sulfanylmethyl]-N-ethyl-6-methylpyrimidin-4-amine
SMILESCCNc1cc(C)nc(CSc2ncccc2Cl)n1
InChIInChI=1S/C13H15ClN4S/c1-3-15-11-7-9(2)17-12(18-11)8-19-13-10(14)5-4-6-16-13/h4-7H,3,8H2,1-2H3,(H,15,17,18)
InChIKeyDMYRJXRKDFEJEE-UHFFFAOYSA-N
MW294.81 g/mol
LogP3.56
Rot. Bonds5

About 2-[(3-chloro-2-pyridinyl)sulfanylmethyl]-N-ethyl-6-methylpyrimidin-4-amine

2-[(3-chloro-2-pyridinyl)sulfanylmethyl]-N-ethyl-6-methylpyrimidin-4-amine (PubChem CID 80654807) has the molecular formula C13H15ClN4S and a molecular weight of 294.81 g/mol. Its IUPAC name is 2-[(3-chloro-2-pyridinyl)sulfanylmethyl]-N-ethyl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-chloro-2-pyridinyl)sulfanylmethyl]-N-ethyl-6-methylpyrimidin-4-amine
PubChem CID80654807
Molecular FormulaC13H15ClN4S
Molecular Weight294.81 g/mol
Exact Mass294.07
IUPAC Name2-[(3-chloro-2-pyridinyl)sulfanylmethyl]-N-ethyl-6-methylpyrimidin-4-amine
SMILESCCNc1cc(C)nc(CSc2ncccc2Cl)n1
InChIInChI=1S/C13H15ClN4S/c1-3-15-11-7-9(2)17-12(18-11)8-19-13-10(14)5-4-6-16-13/h4-7H,3,8H2,1-2H3,(H,15,17,18)
InChIKeyDMYRJXRKDFEJEE-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-6-methyl-2-(1,3-thiazol-2-ylsulfanylmethyl)pyrimidin-4-amine
CID 80655030
2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methylsulfanyl]-1H-pyrimidin-6-one
CID 80654238
2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine
CID 165433324
2-[(2-chlorophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine
CID 66153137
N-ethyl-6-methyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
CID 65129176
2-[(2-chlorophenyl)sulfanylmethyl]-N-ethylpyrimidin-4-amine
CID 66154099
6-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80964386
4-N-[(2-chlorophenyl)methyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80786647
2-[(dimethylamino)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 79089446
N-ethyl-6-methyl-2-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrimidin-4-amine
CID 80654720
2-benzyl-N-ethyl-6-methylpyrimidin-4-amine
CID 62191071
3-chloro-2-[(2-methylphenyl)methylsulfanyl]pyridine
CID 47129961

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanylmethyl]-N-ethyl-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanylmethyl]-N-ethyl-6-methylpyrimidin-4-amine (CID 80654807) is 2-[(3-chloro-2-pyridinyl)sulfanylmethyl]-N-ethyl-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3-chloro-2-pyridinyl)sulfanylmethyl]-N-ethyl-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(3-chloro-2-pyridinyl)sulfanylmethyl]-N-ethyl-6-methylpyrimidin-4-amine is CCNc1cc(C)nc(CSc2ncccc2Cl)n1.
What is the InChIKey of 2-[(3-chloro-2-pyridinyl)sulfanylmethyl]-N-ethyl-6-methylpyrimidin-4-amine?
The InChIKey is DMYRJXRKDFEJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4S/c1-3-15-11-7-9(2)17-12(18-11)8-19-13-10(14)5-4-6-16-13/h4-7H,3,8H2,1-2H3,(H,15,17,18).
What are the key properties of 2-[(3-chloro-2-pyridinyl)sulfanylmethyl]-N-ethyl-6-methylpyrimidin-4-amine?
2-[(3-chloro-2-pyridinyl)sulfanylmethyl]-N-ethyl-6-methylpyrimidin-4-amine has a molecular weight of 294.81 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-pyridinyl)sulfanylmethyl]-N-ethyl-6-methylpyrimidin-4-amine is sourced from PubChem (CID 80654807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).