2-methyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine

C15H17N5S — CID 95199685

IUPAC2-methyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCc1nc(N2CCC[C@@H](c3ccn[nH]3)C2)c2ccsc2n1
InChIInChI=1S/C15H17N5S/c1-10-17-14(12-5-8-21-15(12)18-10)20-7-2-3-11(9-20)13-4-6-16-19-13/h4-6,8,11H,2-3,7,9H2,1H3,(H,16,19)/t11-/m1/s1
InChIKeyVXFHFPKEYLKKMC-LLVKDONJSA-N
MW299.40 g/mol
LogP3.11
Rot. Bonds2

About 2-methyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine

2-methyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 95199685) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-methyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID95199685
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC Name2-methyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCc1nc(N2CCC[C@@H](c3ccn[nH]3)C2)c2ccsc2n1
InChIInChI=1S/C15H17N5S/c1-10-17-14(12-5-8-21-15(12)18-10)20-7-2-3-11(9-20)13-4-6-16-19-13/h4-6,8,11H,2-3,7,9H2,1H3,(H,16,19)/t11-/m1/s1
InChIKeyVXFHFPKEYLKKMC-LLVKDONJSA-N
XLogP3.11
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethyl-2-methyl-4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 166271387
4-(azepan-1-yl)-2-methylthieno[2,3-d]pyrimidine
CID 2238996
4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[3,2-d]pyrimidin-2-amine
CID 171446303
1-(2-methylthieno[2,3-d]pyrimidin-4-yl)azepan-4-amine
CID 56897575
4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 171446103
(3S)-1-tert-butyl-3-(1H-pyrazol-5-yl)piperidine
CID 176612652
4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-5,7-dihydrothieno[3,4-d]pyrimidin-2-amine
CID 171446063
1-methyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 97075285
5-(4-methylphenyl)-4-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 95576399
2-methyl-4-(4-thiomorpholin-4-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 72928054
6-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 95223920
(1S,5R)-6-(cyclobutylmethyl)-3-(2-methylthieno[2,3-d]pyrimidin-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 72871408

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 2-methyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine (CID 95199685) is 2-methyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-methyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 2-methyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine is Cc1nc(N2CCC[C@@H](c3ccn[nH]3)C2)c2ccsc2n1.
What is the InChIKey of 2-methyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is VXFHFPKEYLKKMC-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17N5S/c1-10-17-14(12-5-8-21-15(12)18-10)20-7-2-3-11(9-20)13-4-6-16-19-13/h4-6,8,11H,2-3,7,9H2,1H3,(H,16,19)/t11-/m1/s1.
What are the key properties of 2-methyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine?
2-methyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 299.40 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 95199685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).