4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[3,2-d]pyrimidin-2-amine

C14H16N6S — CID 171446303

IUPAC4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[3,2-d]pyrimidin-2-amine
SMILESNc1nc(N2CCCC(c3ccn[nH]3)C2)c2sccc2n1
InChIInChI=1S/C14H16N6S/c15-14-17-11-4-7-21-12(11)13(18-14)20-6-1-2-9(8-20)10-3-5-16-19-10/h3-5,7,9H,1-2,6,8H2,(H,16,19)(H2,15,17,18)
InChIKeyXCYQKFXCFTZXGD-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.38
Rot. Bonds2

About 4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[3,2-d]pyrimidin-2-amine

4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[3,2-d]pyrimidin-2-amine (PubChem CID 171446303) has the molecular formula C14H16N6S and a molecular weight of 300.39 g/mol. Its IUPAC name is 4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[3,2-d]pyrimidin-2-amine
PubChem CID171446303
Molecular FormulaC14H16N6S
Molecular Weight300.39 g/mol
Exact Mass300.12
IUPAC Name4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[3,2-d]pyrimidin-2-amine
SMILESNc1nc(N2CCCC(c3ccn[nH]3)C2)c2sccc2n1
InChIInChI=1S/C14H16N6S/c15-14-17-11-4-7-21-12(11)13(18-14)20-6-1-2-9(8-20)10-3-5-16-19-10/h3-5,7,9H,1-2,6,8H2,(H,16,19)(H2,15,17,18)
InChIKeyXCYQKFXCFTZXGD-UHFFFAOYSA-N
XLogP2.38
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[3,2-d]pyrimidin-2-amine (CID 171446303) is 4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[3,2-d]pyrimidin-2-amine is Nc1nc(N2CCCC(c3ccn[nH]3)C2)c2sccc2n1.
What is the InChIKey of 4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[3,2-d]pyrimidin-2-amine?
The InChIKey is XCYQKFXCFTZXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6S/c15-14-17-11-4-7-21-12(11)13(18-14)20-6-1-2-9(8-20)10-3-5-16-19-10/h3-5,7,9H,1-2,6,8H2,(H,16,19)(H2,15,17,18).
What are the key properties of 4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[3,2-d]pyrimidin-2-amine?
4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[3,2-d]pyrimidin-2-amine has a molecular weight of 300.39 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 171446303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).