N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-6-phenylthieno[2,3-d]pyrimidin-4-amine

C21H22N6S — CID 133330027

IUPACN-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-6-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCn1cc(N2CCCC(Nc3ncnc4sc(-c5ccccc5)cc34)C2)cn1
InChIInChI=1S/C21H22N6S/c1-26-13-17(11-24-26)27-9-5-8-16(12-27)25-20-18-10-19(15-6-3-2-4-7-15)28-21(18)23-14-22-20/h2-4,6-7,10-11,13-14,16H,5,8-9,12H2,1H3,(H,22,23,25)
InChIKeyHNSWPYVEUDOXAY-UHFFFAOYSA-N
MW390.52 g/mol
LogP4.17
Rot. Bonds4

About N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-6-phenylthieno[2,3-d]pyrimidin-4-amine

N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-6-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 133330027) has the molecular formula C21H22N6S and a molecular weight of 390.52 g/mol. Its IUPAC name is N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-6-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-6-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID133330027
Molecular FormulaC21H22N6S
Molecular Weight390.52 g/mol
Exact Mass390.16
IUPAC NameN-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-6-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCn1cc(N2CCCC(Nc3ncnc4sc(-c5ccccc5)cc34)C2)cn1
InChIInChI=1S/C21H22N6S/c1-26-13-17(11-24-26)27-9-5-8-16(12-27)25-20-18-10-19(15-6-3-2-4-7-15)28-21(18)23-14-22-20/h2-4,6-7,10-11,13-14,16H,5,8-9,12H2,1H3,(H,22,23,25)
InChIKeyHNSWPYVEUDOXAY-UHFFFAOYSA-N
XLogP4.17
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-6-phenylthieno[2,3-d]pyrimidin-4-amine (CID 133330027) is N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-6-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-6-phenylthieno[2,3-d]pyrimidin-4-amine is Cn1cc(N2CCCC(Nc3ncnc4sc(-c5ccccc5)cc34)C2)cn1.
What is the InChIKey of N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is HNSWPYVEUDOXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6S/c1-26-13-17(11-24-26)27-9-5-8-16(12-27)25-20-18-10-19(15-6-3-2-4-7-15)28-21(18)23-14-22-20/h2-4,6-7,10-11,13-14,16H,5,8-9,12H2,1H3,(H,22,23,25).
What are the key properties of N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-6-phenylthieno[2,3-d]pyrimidin-4-amine?
N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-6-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 390.52 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-6-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133330027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).