(2E)-5-amino-2-(furan-2-ylmethylidene)-6-piperidin-1-yl-1H-imidazo[1,2-a]pyrimidine-3,7-dione

C16H17N5O3 — CID 6475562

IUPAC(2E)-5-amino-2-(furan-2-ylmethylidene)-6-piperidin-1-yl-1H-imidazo[1,2-a]pyrimidine-3,7-dione
SMILESNc1c(N2CCCCC2)c(=O)nc2[nH]/c(=C/c3ccco3)c(=O)n12
InChIInChI=1S/C16H17N5O3/c17-13-12(20-6-2-1-3-7-20)14(22)19-16-18-11(15(23)21(13)16)9-10-5-4-8-24-10/h4-5,8-9H,1-3,6-7,17H2,(H,18,19,22)/b11-9+
InChIKeyWOJSGOACTWCHSJ-PKNBQFBNSA-N
MW327.34 g/mol
LogP0.10
Rot. Bonds2

About (2E)-5-amino-2-(furan-2-ylmethylidene)-6-piperidin-1-yl-1H-imidazo[1,2-a]pyrimidine-3,7-dione

(2E)-5-amino-2-(furan-2-ylmethylidene)-6-piperidin-1-yl-1H-imidazo[1,2-a]pyrimidine-3,7-dione (PubChem CID 6475562) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is (2E)-5-amino-2-(furan-2-ylmethylidene)-6-piperidin-1-yl-1H-imidazo[1,2-a]pyrimidine-3,7-dione.

Molecular Properties

Compound Name(2E)-5-amino-2-(furan-2-ylmethylidene)-6-piperidin-1-yl-1H-imidazo[1,2-a]pyrimidine-3,7-dione
PubChem CID6475562
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name(2E)-5-amino-2-(furan-2-ylmethylidene)-6-piperidin-1-yl-1H-imidazo[1,2-a]pyrimidine-3,7-dione
SMILESNc1c(N2CCCCC2)c(=O)nc2[nH]/c(=C/c3ccco3)c(=O)n12
InChIInChI=1S/C16H17N5O3/c17-13-12(20-6-2-1-3-7-20)14(22)19-16-18-11(15(23)21(13)16)9-10-5-4-8-24-10/h4-5,8-9H,1-3,6-7,17H2,(H,18,19,22)/b11-9+
InChIKeyWOJSGOACTWCHSJ-PKNBQFBNSA-N
XLogP0.10
TPSA109.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2E)-5-amino-2-(furan-2-ylmethylidene)-6-piperidin-1-yl-1H-imidazo[1,2-a]pyrimidine-3,7-dione?
The IUPAC name of (2E)-5-amino-2-(furan-2-ylmethylidene)-6-piperidin-1-yl-1H-imidazo[1,2-a]pyrimidine-3,7-dione (CID 6475562) is (2E)-5-amino-2-(furan-2-ylmethylidene)-6-piperidin-1-yl-1H-imidazo[1,2-a]pyrimidine-3,7-dione.
What is the SMILES notation for (2E)-5-amino-2-(furan-2-ylmethylidene)-6-piperidin-1-yl-1H-imidazo[1,2-a]pyrimidine-3,7-dione?
The canonical SMILES for (2E)-5-amino-2-(furan-2-ylmethylidene)-6-piperidin-1-yl-1H-imidazo[1,2-a]pyrimidine-3,7-dione is Nc1c(N2CCCCC2)c(=O)nc2[nH]/c(=C/c3ccco3)c(=O)n12.
What is the InChIKey of (2E)-5-amino-2-(furan-2-ylmethylidene)-6-piperidin-1-yl-1H-imidazo[1,2-a]pyrimidine-3,7-dione?
The InChIKey is WOJSGOACTWCHSJ-PKNBQFBNSA-N. The full InChI is InChI=1S/C16H17N5O3/c17-13-12(20-6-2-1-3-7-20)14(22)19-16-18-11(15(23)21(13)16)9-10-5-4-8-24-10/h4-5,8-9H,1-3,6-7,17H2,(H,18,19,22)/b11-9+.
What are the key properties of (2E)-5-amino-2-(furan-2-ylmethylidene)-6-piperidin-1-yl-1H-imidazo[1,2-a]pyrimidine-3,7-dione?
(2E)-5-amino-2-(furan-2-ylmethylidene)-6-piperidin-1-yl-1H-imidazo[1,2-a]pyrimidine-3,7-dione has a molecular weight of 327.34 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-amino-2-(furan-2-ylmethylidene)-6-piperidin-1-yl-1H-imidazo[1,2-a]pyrimidine-3,7-dione is sourced from PubChem (CID 6475562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).