4-[(2S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-2-yl]pyrimidine

C15H19N3S — CID 124971540

IUPAC4-[(2S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-2-yl]pyrimidine
SMILESCc1ccsc1CN1CCCC[C@H]1c1ccncn1
InChIInChI=1S/C15H19N3S/c1-12-6-9-19-15(12)10-18-8-3-2-4-14(18)13-5-7-16-11-17-13/h5-7,9,11,14H,2-4,8,10H2,1H3/t14-/m0/s1
InChIKeyJXIOJOIJGYNWRD-AWEZNQCLSA-N
MW273.40 g/mol
LogP3.57
Rot. Bonds3

About 4-[(2S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-2-yl]pyrimidine

4-[(2S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-2-yl]pyrimidine (PubChem CID 124971540) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 4-[(2S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-2-yl]pyrimidine.

Molecular Properties

Compound Name4-[(2S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-2-yl]pyrimidine
PubChem CID124971540
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name4-[(2S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-2-yl]pyrimidine
SMILESCc1ccsc1CN1CCCC[C@H]1c1ccncn1
InChIInChI=1S/C15H19N3S/c1-12-6-9-19-15(12)10-18-8-3-2-4-14(18)13-5-7-16-11-17-13/h5-7,9,11,14H,2-4,8,10H2,1H3/t14-/m0/s1
InChIKeyJXIOJOIJGYNWRD-AWEZNQCLSA-N
XLogP3.57
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[[(2R)-2-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine
CID 125026753
4-[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]pyrimidine
CID 110271171
2-methoxy-5-[[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine
CID 95846033
N-methyl-6-[1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine
CID 132775734
4-[1-(furan-2-ylmethyl)piperidin-2-yl]pyrimidine
CID 127244796
4-(1-benzylpyrrolidin-2-yl)pyrimidine
CID 175656203
4-[(2S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidine
CID 95817567
4-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidine
CID 110254306
4-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyrimidine
CID 110270807
4-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyrimidine
CID 95845165
4-[(2S)-1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]pyrimidine
CID 124953340
5-[(2R)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]imidazo[1,2-a]pyridine
CID 124972240

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-2-yl]pyrimidine?
The IUPAC name of 4-[(2S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-2-yl]pyrimidine (CID 124971540) is 4-[(2S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-2-yl]pyrimidine.
What is the SMILES notation for 4-[(2S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-2-yl]pyrimidine?
The canonical SMILES for 4-[(2S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-2-yl]pyrimidine is Cc1ccsc1CN1CCCC[C@H]1c1ccncn1.
What is the InChIKey of 4-[(2S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-2-yl]pyrimidine?
The InChIKey is JXIOJOIJGYNWRD-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H19N3S/c1-12-6-9-19-15(12)10-18-8-3-2-4-14(18)13-5-7-16-11-17-13/h5-7,9,11,14H,2-4,8,10H2,1H3/t14-/m0/s1.
What are the key properties of 4-[(2S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-2-yl]pyrimidine?
4-[(2S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-2-yl]pyrimidine has a molecular weight of 273.40 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-2-yl]pyrimidine is sourced from PubChem (CID 124971540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).