4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-5,7-dihydrothieno[3,4-d]pyrimidin-2-amine

C14H18N6S — CID 171446063

IUPAC4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-5,7-dihydrothieno[3,4-d]pyrimidin-2-amine
SMILESNc1nc2c(c(N3CCCC(c4ccn[nH]4)C3)n1)CSC2
InChIInChI=1S/C14H18N6S/c15-14-17-12-8-21-7-10(12)13(18-14)20-5-1-2-9(6-20)11-3-4-16-19-11/h3-4,9H,1-2,5-8H2,(H,16,19)(H2,15,17,18)
InChIKeyWMYMIYPNVWSMAC-UHFFFAOYSA-N
MW302.41 g/mol
LogP1.91
Rot. Bonds2

About 4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-5,7-dihydrothieno[3,4-d]pyrimidin-2-amine

4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-5,7-dihydrothieno[3,4-d]pyrimidin-2-amine (PubChem CID 171446063) has the molecular formula C14H18N6S and a molecular weight of 302.41 g/mol. Its IUPAC name is 4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-5,7-dihydrothieno[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-5,7-dihydrothieno[3,4-d]pyrimidin-2-amine
PubChem CID171446063
Molecular FormulaC14H18N6S
Molecular Weight302.41 g/mol
Exact Mass302.13
IUPAC Name4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-5,7-dihydrothieno[3,4-d]pyrimidin-2-amine
SMILESNc1nc2c(c(N3CCCC(c4ccn[nH]4)C3)n1)CSC2
InChIInChI=1S/C14H18N6S/c15-14-17-12-8-21-7-10(12)13(18-14)20-5-1-2-9(6-20)11-3-4-16-19-11/h3-4,9H,1-2,5-8H2,(H,16,19)(H2,15,17,18)
InChIKeyWMYMIYPNVWSMAC-UHFFFAOYSA-N
XLogP1.91
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 51.91
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]-5,7-dihydrothieno[3,4-d]pyrimidin-2-amine?
The IUPAC name of 4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-5,7-dihydrothieno[3,4-d]pyrimidin-2-amine (CID 171446063) is 4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-5,7-dihydrothieno[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for 4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-5,7-dihydrothieno[3,4-d]pyrimidin-2-amine?
The canonical SMILES for 4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-5,7-dihydrothieno[3,4-d]pyrimidin-2-amine is Nc1nc2c(c(N3CCCC(c4ccn[nH]4)C3)n1)CSC2.
What is the InChIKey of 4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-5,7-dihydrothieno[3,4-d]pyrimidin-2-amine?
The InChIKey is WMYMIYPNVWSMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6S/c15-14-17-12-8-21-7-10(12)13(18-14)20-5-1-2-9(6-20)11-3-4-16-19-11/h3-4,9H,1-2,5-8H2,(H,16,19)(H2,15,17,18).
What are the key properties of 4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-5,7-dihydrothieno[3,4-d]pyrimidin-2-amine?
4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-5,7-dihydrothieno[3,4-d]pyrimidin-2-amine has a molecular weight of 302.41 g/mol, XLogP of 1.91, 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]-5,7-dihydrothieno[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 171446063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).