5-methyl-4-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine

C12H20N4S — CID 72872800

IUPAC5-methyl-4-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine
SMILESCSCC1CCN(c2nc(N)ncc2C)CC1
InChIInChI=1S/C12H20N4S/c1-9-7-14-12(13)15-11(9)16-5-3-10(4-6-16)8-17-2/h7,10H,3-6,8H2,1-2H3,(H2,13,14,15)
InChIKeyHAAIUPKIKVDUMM-UHFFFAOYSA-N
MW252.39 g/mol
LogP1.95
Rot. Bonds3

About 5-methyl-4-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine

5-methyl-4-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine (PubChem CID 72872800) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is 5-methyl-4-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-4-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine
PubChem CID72872800
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name5-methyl-4-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine
SMILESCSCC1CCN(c2nc(N)ncc2C)CC1
InChIInChI=1S/C12H20N4S/c1-9-7-14-12(13)15-11(9)16-5-3-10(4-6-16)8-17-2/h7,10H,3-6,8H2,1-2H3,(H2,13,14,15)
InChIKeyHAAIUPKIKVDUMM-UHFFFAOYSA-N
XLogP1.95
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methyl-5-{[(5-methyl-2-pyrimidinyl)thio]methyl}-4-pyrimidinamine
CID 1251567
5-Methyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25130908
4-Amino-2-(4-methyl-1-piperidinyl)-5-pyrimidinecarbonitrile
CID 25020934
N-methyl-2-piperidin-1-yl-N-[(2-propylsulfanylpyrimidin-5-yl)methyl]ethanamine
CID 46963072
5-Methyl-4-{4-[2-(methylthio)ethyl]piperazin-1-yl}pyrimidin-2-amine
CID 72857715
2-{[2-(Propylthio)pyrimidin-5-yl]methyl}-2,8-diazaspiro[4.5]decane
CID 56712606
7-{[2-(Propylthio)pyrimidin-5-yl]methyl}-2,7-diazaspiro[4.5]decane
CID 56757294
5-Fluoro-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 43822498
5-methyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]pyrimidin-2-amine
CID 97194897
N,N-dimethyl-5-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]pyrimidin-2-amine
CID 99950077
4-N,4-N,5-trimethyl-2-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]pyrimidine-2,4-diamine
CID 125518351
2-[4-(dimethylamino)piperidin-1-yl]-N,N,5-trimethylpyrimidin-4-amine
CID 132418224

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 5-methyl-4-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine (CID 72872800) is 5-methyl-4-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-4-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 5-methyl-4-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine is CSCC1CCN(c2nc(N)ncc2C)CC1.
What is the InChIKey of 5-methyl-4-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine?
The InChIKey is HAAIUPKIKVDUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-9-7-14-12(13)15-11(9)16-5-3-10(4-6-16)8-17-2/h7,10H,3-6,8H2,1-2H3,(H2,13,14,15).
What are the key properties of 5-methyl-4-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine?
5-methyl-4-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine has a molecular weight of 252.39 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 72872800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).