6-N-methyl-2-methylsulfanyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine

C12H15N5S — CID 80773056

IUPAC6-N-methyl-2-methylsulfanyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NCc2ccncc2)nc(SC)n1
InChIInChI=1S/C12H15N5S/c1-13-10-7-11(17-12(16-10)18-2)15-8-9-3-5-14-6-4-9/h3-7H,8H2,1-2H3,(H2,13,15,16,17)
InChIKeyHLUHDPPXKDXULP-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.25
Rot. Bonds5

About 6-N-methyl-2-methylsulfanyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine

6-N-methyl-2-methylsulfanyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80773056) has the molecular formula C12H15N5S and a molecular weight of 261.35 g/mol. Its IUPAC name is 6-N-methyl-2-methylsulfanyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-2-methylsulfanyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80773056
Molecular FormulaC12H15N5S
Molecular Weight261.35 g/mol
Exact Mass261.10
IUPAC Name6-N-methyl-2-methylsulfanyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NCc2ccncc2)nc(SC)n1
InChIInChI=1S/C12H15N5S/c1-13-10-7-11(17-12(16-10)18-2)15-8-9-3-5-14-6-4-9/h3-7H,8H2,1-2H3,(H2,13,15,16,17)
InChIKeyHLUHDPPXKDXULP-UHFFFAOYSA-N
XLogP2.25
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-methyl-2-methylsulfanyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrimidine-4,6-diamine
CID 80793102
N-benzyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80932956
N-[(4-fluorophenyl)methyl]-6-methyl-2-methylsulfanylpyrimidin-4-amine
CID 171705235
6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine
CID 80765356
N-benzyl-6-chloro-2-methylsulfanylpyrimidin-4-amine
CID 4190856
6-N-ethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4,6-triamine
CID 80772345
4-N-[2-(3,5-difluorophenyl)ethyl]-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80804289
N-[2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethyl]acetamide
CID 80788462
4-N-[(4-chlorophenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80765688
6-N-methyl-2-methylsulfanyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80830453
N-methyl-2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]acetamide
CID 80783801
4-N-decyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80838969

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-2-methylsulfanyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-2-methylsulfanyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine (CID 80773056) is 6-N-methyl-2-methylsulfanyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-2-methylsulfanyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-2-methylsulfanyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine is CNc1cc(NCc2ccncc2)nc(SC)n1.
What is the InChIKey of 6-N-methyl-2-methylsulfanyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is HLUHDPPXKDXULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5S/c1-13-10-7-11(17-12(16-10)18-2)15-8-9-3-5-14-6-4-9/h3-7H,8H2,1-2H3,(H2,13,15,16,17).
What are the key properties of 6-N-methyl-2-methylsulfanyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
6-N-methyl-2-methylsulfanyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 261.35 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-2-methylsulfanyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80773056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).