2-methylsulfanyl-5-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]pyrimidine

C16H20N4S — CID 99954193

IUPAC2-methylsulfanyl-5-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]pyrimidine
SMILESCSc1ncc(CN2CCCC[C@@H]2c2cccnc2)cn1
InChIInChI=1S/C16H20N4S/c1-21-16-18-9-13(10-19-16)12-20-8-3-2-6-15(20)14-5-4-7-17-11-14/h4-5,7,9-11,15H,2-3,6,8,12H2,1H3/t15-/m1/s1
InChIKeyDGNUFCOPPFFHAB-OAHLLOKOSA-N
MW300.43 g/mol
LogP3.32
Rot. Bonds4

About 2-methylsulfanyl-5-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]pyrimidine

2-methylsulfanyl-5-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]pyrimidine (PubChem CID 99954193) has the molecular formula C16H20N4S and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-methylsulfanyl-5-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name2-methylsulfanyl-5-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]pyrimidine
PubChem CID99954193
Molecular FormulaC16H20N4S
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC Name2-methylsulfanyl-5-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]pyrimidine
SMILESCSc1ncc(CN2CCCC[C@@H]2c2cccnc2)cn1
InChIInChI=1S/C16H20N4S/c1-21-16-18-9-13(10-19-16)12-20-8-3-2-6-15(20)14-5-4-7-17-11-14/h4-5,7,9-11,15H,2-3,6,8,12H2,1H3/t15-/m1/s1
InChIKeyDGNUFCOPPFFHAB-OAHLLOKOSA-N
XLogP3.32
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 131932086
2-cyclopropyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 136547341
3-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 872941
3-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine
CID 872932
3-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyridine
CID 146126331
3-[(2S)-1-[(4-nitrophenyl)methyl]piperidin-2-yl]pyridine
CID 40533269
3-[(2S)-1-(1,3-benzodioxol-5-ylmethyl)piperidin-2-yl]pyridine
CID 838789
3-[(2S)-1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperidin-2-yl]pyridine
CID 99928577
(2S)-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]propan-2-ol
CID 6540981
3-[(2R)-1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]pyridine
CID 40501419
3-[(2R)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 872916
3-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 2857341

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-5-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]pyrimidine?
The IUPAC name of 2-methylsulfanyl-5-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]pyrimidine (CID 99954193) is 2-methylsulfanyl-5-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]pyrimidine.
What is the SMILES notation for 2-methylsulfanyl-5-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]pyrimidine?
The canonical SMILES for 2-methylsulfanyl-5-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]pyrimidine is CSc1ncc(CN2CCCC[C@@H]2c2cccnc2)cn1.
What is the InChIKey of 2-methylsulfanyl-5-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]pyrimidine?
The InChIKey is DGNUFCOPPFFHAB-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H20N4S/c1-21-16-18-9-13(10-19-16)12-20-8-3-2-6-15(20)14-5-4-7-17-11-14/h4-5,7,9-11,15H,2-3,6,8,12H2,1H3/t15-/m1/s1.
What are the key properties of 2-methylsulfanyl-5-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]pyrimidine?
2-methylsulfanyl-5-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]pyrimidine has a molecular weight of 300.43 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-5-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]pyrimidine is sourced from PubChem (CID 99954193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).