4-methyl-6-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine

C12H20N4S — CID 72855194

IUPAC4-methyl-6-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine
SMILESCSCC1CCCN(c2cc(C)nc(N)n2)C1
InChIInChI=1S/C12H20N4S/c1-9-6-11(15-12(13)14-9)16-5-3-4-10(7-16)8-17-2/h6,10H,3-5,7-8H2,1-2H3,(H2,13,14,15)
InChIKeyJGMKDTWPPRZYGG-UHFFFAOYSA-N
MW252.39 g/mol
LogP1.95
Rot. Bonds3

About 4-methyl-6-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine

4-methyl-6-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine (PubChem CID 72855194) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is 4-methyl-6-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine
PubChem CID72855194
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name4-methyl-6-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine
SMILESCSCC1CCCN(c2cc(C)nc(N)n2)C1
InChIInChI=1S/C12H20N4S/c1-9-6-11(15-12(13)14-9)16-5-3-4-10(7-16)8-17-2/h6,10H,3-5,7-8H2,1-2H3,(H2,13,14,15)
InChIKeyJGMKDTWPPRZYGG-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

4-(3,4-dimethylpiperazin-1-yl)-6-methylpyrimidin-2-amine
CID 80834015
4-(azocan-1-yl)-6-methylpyrimidin-2-amine
CID 11521403
4-(4-ethyl-3-methylpiperazin-1-yl)-6-methylpyrimidin-2-amine
CID 80834370
4-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine
CID 96575726
4-cyclopropyl-6-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidine
CID 72839959
4-methyl-6-(4-propylpiperidin-1-yl)pyrimidin-2-amine
CID 79478769
4-[3-(2-chloroethyl)piperidin-1-yl]-2,6-dimethylpyrimidine
CID 55185138
4-methyl-6-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]pyrimidin-2-amine
CID 96578525
1-(2-chloro-6-methylpyrimidin-4-yl)piperidin-3-amine;hydrochloride
CID 71638277
2-[(2S)-4-(2-amino-6-methylpyrimidin-4-yl)-1-cyclohexylpiperazin-2-yl]ethanol
CID 98771300
4-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine
CID 166260402
1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-cyclohexylethanone
CID 51106955

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine (CID 72855194) is 4-methyl-6-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine is CSCC1CCCN(c2cc(C)nc(N)n2)C1.
What is the InChIKey of 4-methyl-6-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine?
The InChIKey is JGMKDTWPPRZYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-9-6-11(15-12(13)14-9)16-5-3-4-10(7-16)8-17-2/h6,10H,3-5,7-8H2,1-2H3,(H2,13,14,15).
What are the key properties of 4-methyl-6-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine?
4-methyl-6-[3-(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 4-methyl-6-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 72855194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).