2-amino-4-[5-[2-(dimethylamino)ethyl-methylamino]furan-2-yl]indeno[1,2-d]pyrimidin-5-one

C20H21N5O2 — CID 46888890

IUPAC2-amino-4-[5-[2-(dimethylamino)ethyl-methylamino]furan-2-yl]indeno[1,2-d]pyrimidin-5-one
SMILESCN(C)CCN(C)c1ccc(-c2nc(N)nc3c2C(=O)c2ccccc2-3)o1
InChIInChI=1S/C20H21N5O2/c1-24(2)10-11-25(3)15-9-8-14(27-15)18-16-17(22-20(21)23-18)12-6-4-5-7-13(12)19(16)26/h4-9H,10-11H2,1-3H3,(H2,21,22,23)
InChIKeyPYVMVOYKFZPUEW-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.53
Rot. Bonds5

About 2-amino-4-[5-[2-(dimethylamino)ethyl-methylamino]furan-2-yl]indeno[1,2-d]pyrimidin-5-one

2-amino-4-[5-[2-(dimethylamino)ethyl-methylamino]furan-2-yl]indeno[1,2-d]pyrimidin-5-one (PubChem CID 46888890) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-amino-4-[5-[2-(dimethylamino)ethyl-methylamino]furan-2-yl]indeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-4-[5-[2-(dimethylamino)ethyl-methylamino]furan-2-yl]indeno[1,2-d]pyrimidin-5-one
PubChem CID46888890
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name2-amino-4-[5-[2-(dimethylamino)ethyl-methylamino]furan-2-yl]indeno[1,2-d]pyrimidin-5-one
SMILESCN(C)CCN(C)c1ccc(-c2nc(N)nc3c2C(=O)c2ccccc2-3)o1
InChIInChI=1S/C20H21N5O2/c1-24(2)10-11-25(3)15-9-8-14(27-15)18-16-17(22-20(21)23-18)12-6-4-5-7-13(12)19(16)26/h4-9H,10-11H2,1-3H3,(H2,21,22,23)
InChIKeyPYVMVOYKFZPUEW-UHFFFAOYSA-N
XLogP2.53
TPSA88.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[5-[2-(dimethylamino)ethyl-methylamino]furan-2-yl]indeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2-amino-4-[5-[2-(dimethylamino)ethyl-methylamino]furan-2-yl]indeno[1,2-d]pyrimidin-5-one (CID 46888890) is 2-amino-4-[5-[2-(dimethylamino)ethyl-methylamino]furan-2-yl]indeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-4-[5-[2-(dimethylamino)ethyl-methylamino]furan-2-yl]indeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-4-[5-[2-(dimethylamino)ethyl-methylamino]furan-2-yl]indeno[1,2-d]pyrimidin-5-one is CN(C)CCN(C)c1ccc(-c2nc(N)nc3c2C(=O)c2ccccc2-3)o1.
What is the InChIKey of 2-amino-4-[5-[2-(dimethylamino)ethyl-methylamino]furan-2-yl]indeno[1,2-d]pyrimidin-5-one?
The InChIKey is PYVMVOYKFZPUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-24(2)10-11-25(3)15-9-8-14(27-15)18-16-17(22-20(21)23-18)12-6-4-5-7-13(12)19(16)26/h4-9H,10-11H2,1-3H3,(H2,21,22,23).
What are the key properties of 2-amino-4-[5-[2-(dimethylamino)ethyl-methylamino]furan-2-yl]indeno[1,2-d]pyrimidin-5-one?
2-amino-4-[5-[2-(dimethylamino)ethyl-methylamino]furan-2-yl]indeno[1,2-d]pyrimidin-5-one has a molecular weight of 363.42 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[5-[2-(dimethylamino)ethyl-methylamino]furan-2-yl]indeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 46888890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).