2-[[6-[1-(methylamino)ethyl]-3-pyridinyl]sulfanyl]pyrimidine-4,6-diamine

C12H16N6S — CID 83123422

IUPAC2-[[6-[1-(methylamino)ethyl]-3-pyridinyl]sulfanyl]pyrimidine-4,6-diamine
SMILESCNC(C)c1ccc(Sc2nc(N)cc(N)n2)cn1
InChIInChI=1S/C12H16N6S/c1-7(15-2)9-4-3-8(6-16-9)19-12-17-10(13)5-11(14)18-12/h3-7,15H,1-2H3,(H4,13,14,17,18)
InChIKeyZMRHHEWNIMAXLI-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.47
Rot. Bonds4

About 2-[[6-[1-(methylamino)ethyl]-3-pyridinyl]sulfanyl]pyrimidine-4,6-diamine

2-[[6-[1-(methylamino)ethyl]-3-pyridinyl]sulfanyl]pyrimidine-4,6-diamine (PubChem CID 83123422) has the molecular formula C12H16N6S and a molecular weight of 276.37 g/mol. Its IUPAC name is 2-[[6-[1-(methylamino)ethyl]-3-pyridinyl]sulfanyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-[[6-[1-(methylamino)ethyl]-3-pyridinyl]sulfanyl]pyrimidine-4,6-diamine
PubChem CID83123422
Molecular FormulaC12H16N6S
Molecular Weight276.37 g/mol
Exact Mass276.12
IUPAC Name2-[[6-[1-(methylamino)ethyl]-3-pyridinyl]sulfanyl]pyrimidine-4,6-diamine
SMILESCNC(C)c1ccc(Sc2nc(N)cc(N)n2)cn1
InChIInChI=1S/C12H16N6S/c1-7(15-2)9-4-3-8(6-16-9)19-12-17-10(13)5-11(14)18-12/h3-7,15H,1-2H3,(H4,13,14,17,18)
InChIKeyZMRHHEWNIMAXLI-UHFFFAOYSA-N
XLogP1.47
TPSA102.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]sulfanyl]pyrimidine-4,6-diamine
CID 83123179
1-[5-(3,4-dimethylphenyl)sulfanyl-2-pyridinyl]-N-methylethanamine
CID 83123803
1-[5-(3,4-dichlorophenyl)sulfanyl-2-pyridinyl]-N-methylethanamine
CID 83123746
N-methyl-1-(5-methylsulfanyl-2-pyridinyl)ethanamine
CID 83123655
N-methyl-1-(5-pyrimidin-4-ylsulfanyl-2-pyridinyl)ethanamine
CID 83123351
N-methyl-1-[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanamine
CID 104603311
N-methyl-1-[5-[(2-methylphenyl)methylsulfanyl]-2-pyridinyl]ethanamine
CID 83124395
N-methyl-1-[5-(2-methylsulfonylethylsulfanyl)-2-pyridinyl]ethanamine
CID 83124400
(1S)-1-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 130641134
2-[4-fluoro-2-[1-(methylamino)ethyl]phenyl]sulfanylpyrimidine-4,6-diamine
CID 61295849
1-[5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]propan-1-ol
CID 112586531
2-[4-bromo-2-[1-(methylamino)ethyl]phenyl]sulfanylpyrimidine-4,6-diamine
CID 82969467

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[1-(methylamino)ethyl]-3-pyridinyl]sulfanyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-[[6-[1-(methylamino)ethyl]-3-pyridinyl]sulfanyl]pyrimidine-4,6-diamine (CID 83123422) is 2-[[6-[1-(methylamino)ethyl]-3-pyridinyl]sulfanyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-[[6-[1-(methylamino)ethyl]-3-pyridinyl]sulfanyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-[[6-[1-(methylamino)ethyl]-3-pyridinyl]sulfanyl]pyrimidine-4,6-diamine is CNC(C)c1ccc(Sc2nc(N)cc(N)n2)cn1.
What is the InChIKey of 2-[[6-[1-(methylamino)ethyl]-3-pyridinyl]sulfanyl]pyrimidine-4,6-diamine?
The InChIKey is ZMRHHEWNIMAXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6S/c1-7(15-2)9-4-3-8(6-16-9)19-12-17-10(13)5-11(14)18-12/h3-7,15H,1-2H3,(H4,13,14,17,18).
What are the key properties of 2-[[6-[1-(methylamino)ethyl]-3-pyridinyl]sulfanyl]pyrimidine-4,6-diamine?
2-[[6-[1-(methylamino)ethyl]-3-pyridinyl]sulfanyl]pyrimidine-4,6-diamine has a molecular weight of 276.37 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[1-(methylamino)ethyl]-3-pyridinyl]sulfanyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 83123422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).