2-(4-aminopiperidin-1-yl)-3-butylthieno[3,2-d]pyrimidin-4-one

C15H22N4OS — CID 94674877

IUPAC2-(4-aminopiperidin-1-yl)-3-butylthieno[3,2-d]pyrimidin-4-one
SMILESCCCCn1c(N2CCC(N)CC2)nc2ccsc2c1=O
InChIInChI=1S/C15H22N4OS/c1-2-3-7-19-14(20)13-12(6-10-21-13)17-15(19)18-8-4-11(16)5-9-18/h6,10-11H,2-5,7-9,16H2,1H3
InChIKeyRPEMHJOBHSYPRR-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.19
Rot. Bonds4

About 2-(4-aminopiperidin-1-yl)-3-butylthieno[3,2-d]pyrimidin-4-one

2-(4-aminopiperidin-1-yl)-3-butylthieno[3,2-d]pyrimidin-4-one (PubChem CID 94674877) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-3-butylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-3-butylthieno[3,2-d]pyrimidin-4-one
PubChem CID94674877
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name2-(4-aminopiperidin-1-yl)-3-butylthieno[3,2-d]pyrimidin-4-one
SMILESCCCCn1c(N2CCC(N)CC2)nc2ccsc2c1=O
InChIInChI=1S/C15H22N4OS/c1-2-3-7-19-14(20)13-12(6-10-21-13)17-15(19)18-8-4-11(16)5-9-18/h6,10-11H,2-5,7-9,16H2,1H3
InChIKeyRPEMHJOBHSYPRR-UHFFFAOYSA-N
XLogP2.19
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-3-butylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-3-butylthieno[3,2-d]pyrimidin-4-one (CID 94674877) is 2-(4-aminopiperidin-1-yl)-3-butylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-3-butylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-3-butylthieno[3,2-d]pyrimidin-4-one is CCCCn1c(N2CCC(N)CC2)nc2ccsc2c1=O.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-3-butylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is RPEMHJOBHSYPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-2-3-7-19-14(20)13-12(6-10-21-13)17-15(19)18-8-4-11(16)5-9-18/h6,10-11H,2-5,7-9,16H2,1H3.
What are the key properties of 2-(4-aminopiperidin-1-yl)-3-butylthieno[3,2-d]pyrimidin-4-one?
2-(4-aminopiperidin-1-yl)-3-butylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 306.44 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-3-butylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 94674877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).