5-amino-4-butyl-2-(4-hydroxypiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide

C16H23N5O2S — CID 24769254

IUPAC5-amino-4-butyl-2-(4-hydroxypiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCCCc1nc(N2CCC(O)CC2)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C16H23N5O2S/c1-2-3-4-10-11-12(17)13(14(18)23)24-15(11)20-16(19-10)21-7-5-9(22)6-8-21/h9,22H,2-8,17H2,1H3,(H2,18,23)
InChIKeyVWCIEVRDFRAZMM-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.68
Rot. Bonds5

About 5-amino-4-butyl-2-(4-hydroxypiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide

5-amino-4-butyl-2-(4-hydroxypiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 24769254) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 5-amino-4-butyl-2-(4-hydroxypiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-4-butyl-2-(4-hydroxypiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID24769254
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name5-amino-4-butyl-2-(4-hydroxypiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCCCc1nc(N2CCC(O)CC2)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C16H23N5O2S/c1-2-3-4-10-11-12(17)13(14(18)23)24-15(11)20-16(19-10)21-7-5-9(22)6-8-21/h9,22H,2-8,17H2,1H3,(H2,18,23)
InChIKeyVWCIEVRDFRAZMM-UHFFFAOYSA-N
XLogP1.68
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-2-(4-aminopiperidin-1-yl)-4-ethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24769315
5-amino-4-(1-benzofuran-2-yl)-2-(4-hydroxypiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 24769317
3-amino-6-(4-hydroxypiperidin-1-yl)-4-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide
CID 10450537
acetic acid;3-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-(4-hydroxypiperidin-1-yl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(4-hydroxypiperidin-1-yl)-4-(3-hydroxypropyl)thieno[2,3-b]pyridine-2-carboxamide
CID 157148664
3-amino-6-[4-(2-hydroxyethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23400958
3-amino-6-(3-hydroxypiperidin-1-yl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
CID 45485737
3-amino-6-(4-hydroxypiperidin-1-yl)thieno[2,3-b]pyridine-2,4-dicarboxylic acid
CID 22269207
3-amino-6-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23400921
5-amino-4-benzylsulfanyl-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 16751678
5-amino-2-(azetidin-1-yl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide;ethane
CID 143513419
3-amino-6-[4-[[2-hydroxy-2-(4-morpholin-4-ylphenyl)ethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23586268
3-amino-4-(1,1-difluoropropyl)-6-(4-methylsulfanylpiperidin-1-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 143596065

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-butyl-2-(4-hydroxypiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-4-butyl-2-(4-hydroxypiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 24769254) is 5-amino-4-butyl-2-(4-hydroxypiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-4-butyl-2-(4-hydroxypiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-4-butyl-2-(4-hydroxypiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide is CCCCc1nc(N2CCC(O)CC2)nc2sc(C(N)=O)c(N)c12.
What is the InChIKey of 5-amino-4-butyl-2-(4-hydroxypiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is VWCIEVRDFRAZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-2-3-4-10-11-12(17)13(14(18)23)24-15(11)20-16(19-10)21-7-5-9(22)6-8-21/h9,22H,2-8,17H2,1H3,(H2,18,23).
What are the key properties of 5-amino-4-butyl-2-(4-hydroxypiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-4-butyl-2-(4-hydroxypiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-butyl-2-(4-hydroxypiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 24769254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).