N-[1-[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide

C14H19N5OS — CID 103329723

IUPACN-[1-[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCNc1nc(N2CCC(NC(C)=O)CC2)c2ccsc2n1
InChIInChI=1S/C14H19N5OS/c1-9(20)16-10-3-6-19(7-4-10)12-11-5-8-21-13(11)18-14(15-2)17-12/h5,8,10H,3-4,6-7H2,1-2H3,(H,16,20)(H,15,17,18)
InChIKeyOPBNUICPVPQHLR-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.84
Rot. Bonds3

About N-[1-[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide

N-[1-[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide (PubChem CID 103329723) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is N-[1-[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide
PubChem CID103329723
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC NameN-[1-[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCNc1nc(N2CCC(NC(C)=O)CC2)c2ccsc2n1
InChIInChI=1S/C14H19N5OS/c1-9(20)16-10-3-6-19(7-4-10)12-11-5-8-21-13(11)18-14(15-2)17-12/h5,8,10H,3-4,6-7H2,1-2H3,(H,16,20)(H,15,17,18)
InChIKeyOPBNUICPVPQHLR-UHFFFAOYSA-N
XLogP1.84
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 103323755
4-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103326291
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103325254
N-methyl-4-(3-propylpyrrolidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103329872
N-methyl-4-(1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327477
4-(3,4-dimethylpiperazin-1-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103327794
N-methyl-4-(2-methylthiomorpholin-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103330394
N-methyl-4-(2-methylmorpholin-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103323884
4-(7,7-dimethyl-1,4-thiazepan-4-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 107460148
N-ethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103323789
4-(2,4-dimethylpiperidin-1-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103327188
N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327467

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide (CID 103329723) is N-[1-[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide is CNc1nc(N2CCC(NC(C)=O)CC2)c2ccsc2n1.
What is the InChIKey of N-[1-[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide?
The InChIKey is OPBNUICPVPQHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-9(20)16-10-3-6-19(7-4-10)12-11-5-8-21-13(11)18-14(15-2)17-12/h5,8,10H,3-4,6-7H2,1-2H3,(H,16,20)(H,15,17,18).
What are the key properties of N-[1-[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide?
N-[1-[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide has a molecular weight of 305.41 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 103329723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).