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

C12H15N5S — CID 80654802

IUPAC2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(CSc2nc(C)cc(C)n2)n1
InChIInChI=1S/C12H15N5S/c1-7-4-8(2)16-12(15-7)18-6-11-14-9(3)5-10(13)17-11/h4-5H,6H2,1-3H3,(H2,13,14,17)
InChIKeyNFDVCGWQXRSBNG-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.07
Rot. Bonds3

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

2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-6-methylpyrimidin-4-amine (PubChem CID 80654802) has the molecular formula C12H15N5S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-6-methylpyrimidin-4-amine
PubChem CID80654802
Molecular FormulaC12H15N5S
Molecular Weight261.35 g/mol
Exact Mass261.10
IUPAC Name2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(CSc2nc(C)cc(C)n2)n1
InChIInChI=1S/C12H15N5S/c1-7-4-8(2)16-12(15-7)18-6-11-14-9(3)5-10(13)17-11/h4-5H,6H2,1-3H3,(H2,13,14,17)
InChIKeyNFDVCGWQXRSBNG-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

2-[(4,6-Dimethylpyrimidin-2-yl)disulfanyl]-4,6-dimethylpyrimidine
CID 736679
4,6-Dimethyl-2-(methylsulfanyl)pyrimidine
CID 12343174
(4,5-Dihydro-thiazol-2-yl)-(4,6-dimethyl-pyrimidin-2-yl)-amine
CID 899477
2-({[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]methyl}sulfanyl)-4,6-dimethylpyrimidine
CID 802777
2-(4,6-Dimethylpyrimidin-2-yl)sulfanylacetamide
CID 840853
4-chloro-6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-1,3,5-triazin-2-amine
CID 1087037
5-{[(4,6-Dimethyl-2-pyrimidinyl)thio]methyl}-2-methyl-4-pyrimidinamine
CID 977333
Pyrimidine, 2,2'-(1,4-butanediylbis(thio))bis(4,6-dimethyl-
CID 203670
Pyrimidine, 2,2'-(1,3-propanediylbis(thio))bis(4,6-dimethyl-
CID 203669
2-Pyrimidineacetamide, 4,6-dimethylthio-
CID 3038303
4,6-Dimethyl-2-[(2-piperidin-1-ylethyl)thio]pyrimidine
CID 779100
4-chloro-6-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-ethyl-1,3,5-triazin-2-amine
CID 936779

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-6-methylpyrimidin-4-amine (CID 80654802) is 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-6-methylpyrimidin-4-amine is Cc1cc(N)nc(CSc2nc(C)cc(C)n2)n1.
What is the InChIKey of 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-6-methylpyrimidin-4-amine?
The InChIKey is NFDVCGWQXRSBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5S/c1-7-4-8(2)16-12(15-7)18-6-11-14-9(3)5-10(13)17-11/h4-5H,6H2,1-3H3,(H2,13,14,17).
What are the key properties of 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-6-methylpyrimidin-4-amine?
2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-6-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 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 80654802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).