6-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-methylsulfanylpyrimidin-4-amine

C16H24N6OS — CID 97155887

IUPAC6-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-methylsulfanylpyrimidin-4-amine
SMILESCOCCn1ccnc1[C@@H]1CCCN(c2cc(N)nc(SC)n2)C1
InChIInChI=1S/C16H24N6OS/c1-23-9-8-21-7-5-18-15(21)12-4-3-6-22(11-12)14-10-13(17)19-16(20-14)24-2/h5,7,10,12H,3-4,6,8-9,11H2,1-2H3,(H2,17,19,20)/t12-/m1/s1
InChIKeyRXBYFZSQNMKZLU-GFCCVEGCSA-N
MW348.48 g/mol
LogP2.01
Rot. Bonds6

About 6-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-methylsulfanylpyrimidin-4-amine

6-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-methylsulfanylpyrimidin-4-amine (PubChem CID 97155887) has the molecular formula C16H24N6OS and a molecular weight of 348.48 g/mol. Its IUPAC name is 6-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-methylsulfanylpyrimidin-4-amine
PubChem CID97155887
Molecular FormulaC16H24N6OS
Molecular Weight348.48 g/mol
Exact Mass348.17
IUPAC Name6-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-methylsulfanylpyrimidin-4-amine
SMILESCOCCn1ccnc1[C@@H]1CCCN(c2cc(N)nc(SC)n2)C1
InChIInChI=1S/C16H24N6OS/c1-23-9-8-21-7-5-18-15(21)12-4-3-6-22(11-12)14-10-13(17)19-16(20-14)24-2/h5,7,10,12H,3-4,6,8-9,11H2,1-2H3,(H2,17,19,20)/t12-/m1/s1
InChIKeyRXBYFZSQNMKZLU-GFCCVEGCSA-N
XLogP2.01
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.48
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-methylsulfanylpyrimidin-4-amine with MolForge

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Related Compounds

2-methylsulfanyl-6-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 97271296
2-methylsulfanyl-6-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 70760255
7-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 72885247
3-fluoro-2-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyridine
CID 97128849
[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone
CID 97279430
4-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine
CID 96575726
4-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidin-2-amine
CID 96573599
1-(2-methoxyethyl)-2-[(2S)-1-methylpyrrolidin-2-yl]imidazole
CID 168941227
2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
CID 80847671
4-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-methyl-6-propylpyrimidine
CID 72857071
[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 97278548
4-methyl-6-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]pyrimidin-2-amine
CID 96578525

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-methylsulfanylpyrimidin-4-amine (CID 97155887) is 6-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-methylsulfanylpyrimidin-4-amine is COCCn1ccnc1[C@@H]1CCCN(c2cc(N)nc(SC)n2)C1.
What is the InChIKey of 6-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is RXBYFZSQNMKZLU-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24N6OS/c1-23-9-8-21-7-5-18-15(21)12-4-3-6-22(11-12)14-10-13(17)19-16(20-14)24-2/h5,7,10,12H,3-4,6,8-9,11H2,1-2H3,(H2,17,19,20)/t12-/m1/s1.
What are the key properties of 6-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-methylsulfanylpyrimidin-4-amine?
6-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 348.48 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 97155887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).