1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine

C19H26N6S — CID 72884801

IUPAC1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine
SMILESCc1sc2ncnc(N3CCC(N(C)Cc4cnn(C)c4)CC3)c2c1C
InChIInChI=1S/C19H26N6S/c1-13-14(2)26-19-17(13)18(20-12-21-19)25-7-5-16(6-8-25)23(3)10-15-9-22-24(4)11-15/h9,11-12,16H,5-8,10H2,1-4H3
InChIKeyFWWUCMDTEYFGEI-UHFFFAOYSA-N
MW370.53 g/mol
LogP3.14
Rot. Bonds4

About 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine

1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine (PubChem CID 72884801) has the molecular formula C19H26N6S and a molecular weight of 370.53 g/mol. Its IUPAC name is 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine
PubChem CID72884801
Molecular FormulaC19H26N6S
Molecular Weight370.53 g/mol
Exact Mass370.19
IUPAC Name1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine
SMILESCc1sc2ncnc(N3CCC(N(C)Cc4cnn(C)c4)CC3)c2c1C
InChIInChI=1S/C19H26N6S/c1-13-14(2)26-19-17(13)18(20-12-21-19)25-7-5-16(6-8-25)23(3)10-15-9-22-24(4)11-15/h9,11-12,16H,5-8,10H2,1-4H3
InChIKeyFWWUCMDTEYFGEI-UHFFFAOYSA-N
XLogP3.14
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.53
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-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 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine (CID 72884801) is 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine is Cc1sc2ncnc(N3CCC(N(C)Cc4cnn(C)c4)CC3)c2c1C.
What is the InChIKey of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine?
The InChIKey is FWWUCMDTEYFGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6S/c1-13-14(2)26-19-17(13)18(20-12-21-19)25-7-5-16(6-8-25)23(3)10-15-9-22-24(4)11-15/h9,11-12,16H,5-8,10H2,1-4H3.
What are the key properties of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine?
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine has a molecular weight of 370.53 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 72884801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).