1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pentan-1-one

C16H22N4OS — CID 39072810

IUPAC1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(c2ncnc3sc(C)cc23)CC1
InChIInChI=1S/C16H22N4OS/c1-3-4-5-14(21)19-6-8-20(9-7-19)15-13-10-12(2)22-16(13)18-11-17-15/h10-11H,3-9H2,1-2H3
InChIKeyKYORSVGRXHLAIM-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.84
Rot. Bonds4

About 1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pentan-1-one

1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pentan-1-one (PubChem CID 39072810) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pentan-1-one
PubChem CID39072810
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(c2ncnc3sc(C)cc23)CC1
InChIInChI=1S/C16H22N4OS/c1-3-4-5-14(21)19-6-8-20(9-7-19)15-13-10-12(2)22-16(13)18-11-17-15/h10-11H,3-9H2,1-2H3
InChIKeyKYORSVGRXHLAIM-UHFFFAOYSA-N
XLogP2.84
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one
CID 39072808
2,2-dimethyl-1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 39072814
2-(2-methylimidazol-1-yl)-1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 154735843
6-methyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]thieno[2,3-d]pyrimidine
CID 133408657
4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133487158
(2-methylphenyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 39072836
1-(3,5-dimethylpiperidin-1-yl)-2-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 127682976
4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-amine
CID 63617389
3-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]propanoic acid
CID 63618059
phenyl 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate
CID 21062807
6-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 2229510
(2,6-dimethoxyphenyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 39072864

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pentan-1-one?
The IUPAC name of 1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pentan-1-one (CID 39072810) is 1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pentan-1-one?
The canonical SMILES for 1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pentan-1-one is CCCCC(=O)N1CCN(c2ncnc3sc(C)cc23)CC1.
What is the InChIKey of 1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pentan-1-one?
The InChIKey is KYORSVGRXHLAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-3-4-5-14(21)19-6-8-20(9-7-19)15-13-10-12(2)22-16(13)18-11-17-15/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pentan-1-one?
1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pentan-1-one has a molecular weight of 318.45 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 39072810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).