4-[4-(2-hydroxyethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide

C13H17N5O2S — CID 90389307

IUPAC4-[4-(2-hydroxyethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide
SMILESNC(=O)c1cc2ncnc(N3CCN(CCO)CC3)c2s1
InChIInChI=1S/C13H17N5O2S/c14-12(20)10-7-9-11(21-10)13(16-8-15-9)18-3-1-17(2-4-18)5-6-19/h7-8,19H,1-6H2,(H2,14,20)
InChIKeyQZBCVVZPCBWJTK-UHFFFAOYSA-N
MW307.38 g/mol
LogP-0.10
Rot. Bonds4

About 4-[4-(2-hydroxyethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide

4-[4-(2-hydroxyethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide (PubChem CID 90389307) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is 4-[4-(2-hydroxyethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-[4-(2-hydroxyethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide
PubChem CID90389307
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name4-[4-(2-hydroxyethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide
SMILESNC(=O)c1cc2ncnc(N3CCN(CCO)CC3)c2s1
InChIInChI=1S/C13H17N5O2S/c14-12(20)10-7-9-11(21-10)13(16-8-15-9)18-3-1-17(2-4-18)5-6-19/h7-8,19H,1-6H2,(H2,14,20)
InChIKeyQZBCVVZPCBWJTK-UHFFFAOYSA-N
XLogP-0.10
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxyethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-[4-(2-hydroxyethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide (CID 90389307) is 4-[4-(2-hydroxyethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-[4-(2-hydroxyethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-[4-(2-hydroxyethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide is NC(=O)c1cc2ncnc(N3CCN(CCO)CC3)c2s1.
What is the InChIKey of 4-[4-(2-hydroxyethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide?
The InChIKey is QZBCVVZPCBWJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c14-12(20)10-7-9-11(21-10)13(16-8-15-9)18-3-1-17(2-4-18)5-6-19/h7-8,19H,1-6H2,(H2,14,20).
What are the key properties of 4-[4-(2-hydroxyethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide?
4-[4-(2-hydroxyethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide has a molecular weight of 307.38 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxyethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 90389307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).