4-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methylthieno[2,3-d]pyrimidin-2-amine

C15H23N5S — CID 103326291

IUPAC4-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(N2CCC(CN(C)C)CC2)c2ccsc2n1
InChIInChI=1S/C15H23N5S/c1-16-15-17-13(12-6-9-21-14(12)18-15)20-7-4-11(5-8-20)10-19(2)3/h6,9,11H,4-5,7-8,10H2,1-3H3,(H,16,17,18)
InChIKeyYKHHOJXKACKBTQ-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.51
Rot. Bonds4

About 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methylthieno[2,3-d]pyrimidin-2-amine

4-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103326291) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103326291
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC Name4-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(N2CCC(CN(C)C)CC2)c2ccsc2n1
InChIInChI=1S/C15H23N5S/c1-16-15-17-13(12-6-9-21-14(12)18-15)20-7-4-11(5-8-20)10-19(2)3/h6,9,11H,4-5,7-8,10H2,1-3H3,(H,16,17,18)
InChIKeyYKHHOJXKACKBTQ-UHFFFAOYSA-N
XLogP2.51
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methylthieno[2,3-d]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methylthieno[2,3-d]pyrimidin-2-amine (CID 103326291) is 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methylthieno[2,3-d]pyrimidin-2-amine is CNc1nc(N2CCC(CN(C)C)CC2)c2ccsc2n1.
What is the InChIKey of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is YKHHOJXKACKBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S/c1-16-15-17-13(12-6-9-21-14(12)18-15)20-7-4-11(5-8-20)10-19(2)3/h6,9,11H,4-5,7-8,10H2,1-3H3,(H,16,17,18).
What are the key properties of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methylthieno[2,3-d]pyrimidin-2-amine?
4-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 305.45 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103326291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).