5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methylpyrimidin-4-amine

C12H15N5S — CID 977333

IUPAC5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methylpyrimidin-4-amine
SMILESCc1cc(C)nc(SCc2cnc(C)nc2N)n1
InChIInChI=1S/C12H15N5S/c1-7-4-8(2)16-12(15-7)18-6-10-5-14-9(3)17-11(10)13/h4-5H,6H2,1-3H3,(H2,13,14,17)
InChIKeyGALDLUFSZFXMCL-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.07
Rot. Bonds3

About 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methylpyrimidin-4-amine

5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methylpyrimidin-4-amine (PubChem CID 977333) has the molecular formula C12H15N5S and a molecular weight of 261.35 g/mol. Its IUPAC name is 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methylpyrimidin-4-amine
PubChem CID977333
Molecular FormulaC12H15N5S
Molecular Weight261.35 g/mol
Exact Mass261.10
IUPAC Name5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methylpyrimidin-4-amine
SMILESCc1cc(C)nc(SCc2cnc(C)nc2N)n1
InChIInChI=1S/C12H15N5S/c1-7-4-8(2)16-12(15-7)18-6-10-5-14-9(3)17-11(10)13/h4-5H,6H2,1-3H3,(H2,13,14,17)
InChIKeyGALDLUFSZFXMCL-UHFFFAOYSA-N
XLogP2.07
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,6-dimethyl-2-pyrimidinyl)-2-[(4-methyl-2-pyrimidinyl)sulfanyl]acetamide
CID 888739
N-(4,6-dimethylpyrimidin-2-yl)-2-pyrimidin-2-ylthioacetamide
CID 951221
2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-N-(2-pyrimidinyl)acetamide
CID 672416
N-[(4,6-dimethylpyrimidin-2-yl)methyl]-1-[2-(methylthio)pyrimidin-4-yl]piperidin-4-amine
CID 72915034
6-Chloro-2-[(6-methylpyrimidin-4-yl)methylsulfanyl]pyrimidin-4-amine
CID 492773
1-(3-((4,6-Dimethylpyrimidin-2-yl)thio)propyl)-3-(4-methylpyrimidin-2-yl)urea
CID 18584277
N-[2-(4,6-Dimethylpyrimidin-2-YL)ethyl]-5-ethylpyrimidin-2-amine
CID 72914146
4,6-Dimethyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine
CID 122490227
4,6-Dimethyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine;ethane
CID 145136419
4,6-Dimethyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine;ethane
CID 145136467
4,6-Dimethyl-5-pyrimidin-2-ylpyrimidine
CID 91401608
2-N,2-N-dimethyl-6-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 33756765

Frequently Asked Questions

What is the IUPAC name of 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methylpyrimidin-4-amine (CID 977333) is 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methylpyrimidin-4-amine is Cc1cc(C)nc(SCc2cnc(C)nc2N)n1.
What is the InChIKey of 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methylpyrimidin-4-amine?
The InChIKey is GALDLUFSZFXMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5S/c1-7-4-8(2)16-12(15-7)18-6-10-5-14-9(3)17-11(10)13/h4-5H,6H2,1-3H3,(H2,13,14,17).
What are the key properties of 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methylpyrimidin-4-amine?
5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methylpyrimidin-4-amine has a molecular weight of 261.35 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 977333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).