2-methyl-4-[(3R)-3-(methylsulfanylmethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine

C14H19N3S2 — CID 97141123

IUPAC2-methyl-4-[(3R)-3-(methylsulfanylmethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine
SMILESCSC[C@@H]1CCCN(c2nc(C)nc3ccsc23)C1
InChIInChI=1S/C14H19N3S2/c1-10-15-12-5-7-19-13(12)14(16-10)17-6-3-4-11(8-17)9-18-2/h5,7,11H,3-4,6,8-9H2,1-2H3/t11-/m1/s1
InChIKeyXPQOOHUSPRPVIC-LLVKDONJSA-N
MW293.46 g/mol
LogP3.58
Rot. Bonds3

About 2-methyl-4-[(3R)-3-(methylsulfanylmethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine

2-methyl-4-[(3R)-3-(methylsulfanylmethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine (PubChem CID 97141123) has the molecular formula C14H19N3S2 and a molecular weight of 293.46 g/mol. Its IUPAC name is 2-methyl-4-[(3R)-3-(methylsulfanylmethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[(3R)-3-(methylsulfanylmethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine
PubChem CID97141123
Molecular FormulaC14H19N3S2
Molecular Weight293.46 g/mol
Exact Mass293.10
IUPAC Name2-methyl-4-[(3R)-3-(methylsulfanylmethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine
SMILESCSC[C@@H]1CCCN(c2nc(C)nc3ccsc23)C1
InChIInChI=1S/C14H19N3S2/c1-10-15-12-5-7-19-13(12)14(16-10)17-6-3-4-11(8-17)9-18-2/h5,7,11H,3-4,6,8-9H2,1-2H3/t11-/m1/s1
InChIKeyXPQOOHUSPRPVIC-LLVKDONJSA-N
XLogP3.58
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]thieno[3,2-d]pyrimidine
CID 97124550
CID 161026737
CID 161026737
(2S)-1-(2-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 122562447
[4-(4-methylsulfanylazepan-1-yl)thieno[3,2-d]pyrimidin-2-yl]hydrazine
CID 112750748
[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 55230644
(3aS,6aS)-5-(2-methylthieno[3,2-d]pyrimidin-4-yl)-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3-one
CID 163309388
4-methyl-6-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine
CID 72855194
4-[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]thieno[3,2-d]pyrimidine
CID 52874103
4-[(3R)-3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidine-5-carboxylic acid
CID 97187253
4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[3,2-d]pyrimidin-2-amine
CID 171446303
5-chloro-2-methyl-4-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine
CID 137334881
2-[3-(chloromethyl)piperidin-1-yl]-3-methylquinoxaline
CID 63392549

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(3R)-3-(methylsulfanylmethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine?
The IUPAC name of 2-methyl-4-[(3R)-3-(methylsulfanylmethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine (CID 97141123) is 2-methyl-4-[(3R)-3-(methylsulfanylmethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine.
What is the SMILES notation for 2-methyl-4-[(3R)-3-(methylsulfanylmethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine?
The canonical SMILES for 2-methyl-4-[(3R)-3-(methylsulfanylmethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine is CSC[C@@H]1CCCN(c2nc(C)nc3ccsc23)C1.
What is the InChIKey of 2-methyl-4-[(3R)-3-(methylsulfanylmethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine?
The InChIKey is XPQOOHUSPRPVIC-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N3S2/c1-10-15-12-5-7-19-13(12)14(16-10)17-6-3-4-11(8-17)9-18-2/h5,7,11H,3-4,6,8-9H2,1-2H3/t11-/m1/s1.
What are the key properties of 2-methyl-4-[(3R)-3-(methylsulfanylmethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine?
2-methyl-4-[(3R)-3-(methylsulfanylmethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine has a molecular weight of 293.46 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(3R)-3-(methylsulfanylmethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine is sourced from PubChem (CID 97141123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).