N-methyl-N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine

C26H35N5S — CID 167915838

IUPACN-methyl-N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCN1CCC(N2CCC(CCN(C)c3ncnc4scc(-c5ccccc5)c34)CC2)CC1
InChIInChI=1S/C26H35N5S/c1-29-13-11-22(12-14-29)31-16-9-20(10-17-31)8-15-30(2)25-24-23(21-6-4-3-5-7-21)18-32-26(24)28-19-27-25/h3-7,18-20,22H,8-17H2,1-2H3
InChIKeyYXOYHRGZXHSNNR-UHFFFAOYSA-N
MW449.67 g/mol
LogP4.99
Rot. Bonds6

About N-methyl-N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine

N-methyl-N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 167915838) has the molecular formula C26H35N5S and a molecular weight of 449.67 g/mol. Its IUPAC name is N-methyl-N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID167915838
Molecular FormulaC26H35N5S
Molecular Weight449.67 g/mol
Exact Mass449.26
IUPAC NameN-methyl-N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCN1CCC(N2CCC(CCN(C)c3ncnc4scc(-c5ccccc5)c34)CC2)CC1
InChIInChI=1S/C26H35N5S/c1-29-13-11-22(12-14-29)31-16-9-20(10-17-31)8-15-30(2)25-24-23(21-6-4-3-5-7-21)18-32-26(24)28-19-27-25/h3-7,18-20,22H,8-17H2,1-2H3
InChIKeyYXOYHRGZXHSNNR-UHFFFAOYSA-N
XLogP4.99
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.67
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine (CID 167915838) is N-methyl-N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine is CN1CCC(N2CCC(CCN(C)c3ncnc4scc(-c5ccccc5)c34)CC2)CC1.
What is the InChIKey of N-methyl-N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is YXOYHRGZXHSNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5S/c1-29-13-11-22(12-14-29)31-16-9-20(10-17-31)8-15-30(2)25-24-23(21-6-4-3-5-7-21)18-32-26(24)28-19-27-25/h3-7,18-20,22H,8-17H2,1-2H3.
What are the key properties of N-methyl-N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
N-methyl-N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 449.67 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 167915838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).