4-(4-butylpiperidin-1-yl)-7-methylthieno[3,2-d]pyrimidine

C16H23N3S — CID 23381410

IUPAC4-(4-butylpiperidin-1-yl)-7-methylthieno[3,2-d]pyrimidine
SMILESCCCCC1CCN(c2ncnc3c(C)csc23)CC1
InChIInChI=1S/C16H23N3S/c1-3-4-5-13-6-8-19(9-7-13)16-15-14(17-11-18-16)12(2)10-20-15/h10-11,13H,3-9H2,1-2H3
InChIKeyLBWUOXXDCZCLAV-UHFFFAOYSA-N
MW289.45 g/mol
LogP4.41
Rot. Bonds4

About 4-(4-butylpiperidin-1-yl)-7-methylthieno[3,2-d]pyrimidine

4-(4-butylpiperidin-1-yl)-7-methylthieno[3,2-d]pyrimidine (PubChem CID 23381410) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is 4-(4-butylpiperidin-1-yl)-7-methylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-(4-butylpiperidin-1-yl)-7-methylthieno[3,2-d]pyrimidine
PubChem CID23381410
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name4-(4-butylpiperidin-1-yl)-7-methylthieno[3,2-d]pyrimidine
SMILESCCCCC1CCN(c2ncnc3c(C)csc23)CC1
InChIInChI=1S/C16H23N3S/c1-3-4-5-13-6-8-19(9-7-13)16-15-14(17-11-18-16)12(2)10-20-15/h10-11,13H,3-9H2,1-2H3
InChIKeyLBWUOXXDCZCLAV-UHFFFAOYSA-N
XLogP4.41
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-butylpiperidin-1-yl)-7-methylthieno[3,2-d]pyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-ol
CID 102687010
N-cyclopentyl-2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]acetamide
CID 171994481
[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)azetidin-3-yl]methanol
CID 102687035
2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]oxyethanamine
CID 102687385
(3R,4R)-4-(hydroxymethyl)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-3-ol
CID 56898903
N,N-dimethyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 171691257
2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid
CID 102685980
7-methyl-4-(4-pyrrolidin-2-ylpiperidin-1-yl)thieno[3,2-d]pyrimidine
CID 102686848
N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine
CID 72888655
2-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanol
CID 102687009
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)azetidin-3-ol
CID 102687027
7-methyl-4-[3-(pyrimidin-2-yloxymethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine
CID 171691654

Frequently Asked Questions

What is the IUPAC name of 4-(4-butylpiperidin-1-yl)-7-methylthieno[3,2-d]pyrimidine?
The IUPAC name of 4-(4-butylpiperidin-1-yl)-7-methylthieno[3,2-d]pyrimidine (CID 23381410) is 4-(4-butylpiperidin-1-yl)-7-methylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-(4-butylpiperidin-1-yl)-7-methylthieno[3,2-d]pyrimidine?
The canonical SMILES for 4-(4-butylpiperidin-1-yl)-7-methylthieno[3,2-d]pyrimidine is CCCCC1CCN(c2ncnc3c(C)csc23)CC1.
What is the InChIKey of 4-(4-butylpiperidin-1-yl)-7-methylthieno[3,2-d]pyrimidine?
The InChIKey is LBWUOXXDCZCLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-3-4-5-13-6-8-19(9-7-13)16-15-14(17-11-18-16)12(2)10-20-15/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 4-(4-butylpiperidin-1-yl)-7-methylthieno[3,2-d]pyrimidine?
4-(4-butylpiperidin-1-yl)-7-methylthieno[3,2-d]pyrimidine has a molecular weight of 289.45 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylpiperidin-1-yl)-7-methylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 23381410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).