2-[(6-methyl-2-pyridinyl)methylsulfanyl]pyrimidine-4,6-diamine

C11H13N5S — CID 78994270

IUPAC2-[(6-methyl-2-pyridinyl)methylsulfanyl]pyrimidine-4,6-diamine
SMILESCc1cccc(CSc2nc(N)cc(N)n2)n1
InChIInChI=1S/C11H13N5S/c1-7-3-2-4-8(14-7)6-17-11-15-9(12)5-10(13)16-11/h2-5H,6H2,1H3,(H4,12,13,15,16)
InChIKeyMLVSPXPPYDODBH-UHFFFAOYSA-N
MW247.33 g/mol
LogP1.64
Rot. Bonds3

About 2-[(6-methyl-2-pyridinyl)methylsulfanyl]pyrimidine-4,6-diamine

2-[(6-methyl-2-pyridinyl)methylsulfanyl]pyrimidine-4,6-diamine (PubChem CID 78994270) has the molecular formula C11H13N5S and a molecular weight of 247.33 g/mol. Its IUPAC name is 2-[(6-methyl-2-pyridinyl)methylsulfanyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-[(6-methyl-2-pyridinyl)methylsulfanyl]pyrimidine-4,6-diamine
PubChem CID78994270
Molecular FormulaC11H13N5S
Molecular Weight247.33 g/mol
Exact Mass247.09
IUPAC Name2-[(6-methyl-2-pyridinyl)methylsulfanyl]pyrimidine-4,6-diamine
SMILESCc1cccc(CSc2nc(N)cc(N)n2)n1
InChIInChI=1S/C11H13N5S/c1-7-3-2-4-8(14-7)6-17-11-15-9(12)5-10(13)16-11/h2-5H,6H2,1H3,(H4,12,13,15,16)
InChIKeyMLVSPXPPYDODBH-UHFFFAOYSA-N
XLogP1.64
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[6-(methylamino)-2-pyridinyl]methylsulfanyl]pyrimidine-4,6-diamine
CID 79239232
4-methyl-5-[(6-methyl-2-pyridinyl)methylsulfanyl]-1,3-thiazol-2-amine
CID 79267623
4-ethoxy-2-[(6-methyl-2-pyridinyl)methylsulfanyl]aniline
CID 79518909
4-N-ethyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80851849
2-[(2,3-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-amine
CID 107091751
2-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]pyrimidine-4,6-diamine
CID 64783969
1-[4-[(6-methyl-2-pyridinyl)methylsulfanyl]phenyl]ethanol
CID 79261075
6-[(3,4-dimethylphenyl)sulfanylmethyl]pyridin-2-amine
CID 79239222
2-[(2,6-difluorophenyl)methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine
CID 23293839
6-methyl-2-(1,3-thiazol-4-ylmethylsulfanyl)pyrimidin-4-amine
CID 78911837
6-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridin-2-amine
CID 106925597
2-[(2-amino-6-chlorophenyl)methylsulfanyl]pyrimidine-4,6-diamine
CID 55242063

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2-pyridinyl)methylsulfanyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-[(6-methyl-2-pyridinyl)methylsulfanyl]pyrimidine-4,6-diamine (CID 78994270) is 2-[(6-methyl-2-pyridinyl)methylsulfanyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-[(6-methyl-2-pyridinyl)methylsulfanyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-[(6-methyl-2-pyridinyl)methylsulfanyl]pyrimidine-4,6-diamine is Cc1cccc(CSc2nc(N)cc(N)n2)n1.
What is the InChIKey of 2-[(6-methyl-2-pyridinyl)methylsulfanyl]pyrimidine-4,6-diamine?
The InChIKey is MLVSPXPPYDODBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5S/c1-7-3-2-4-8(14-7)6-17-11-15-9(12)5-10(13)16-11/h2-5H,6H2,1H3,(H4,12,13,15,16).
What are the key properties of 2-[(6-methyl-2-pyridinyl)methylsulfanyl]pyrimidine-4,6-diamine?
2-[(6-methyl-2-pyridinyl)methylsulfanyl]pyrimidine-4,6-diamine has a molecular weight of 247.33 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-2-pyridinyl)methylsulfanyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 78994270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).