2-amino-6-(2-aminoethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

C8H11N5O — CID 152552673

IUPAC2-amino-6-(2-aminoethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESNCCc1cc2c(=O)[nH]c(N)nc2[nH]1
InChIInChI=1S/C8H11N5O/c9-2-1-4-3-5-6(11-4)12-8(10)13-7(5)14/h3H,1-2,9H2,(H4,10,11,12,13,14)
InChIKeyYNUWBMRCVCLHJN-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.67
Rot. Bonds2

About 2-amino-6-(2-aminoethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

2-amino-6-(2-aminoethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 152552673) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-amino-6-(2-aminoethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-(2-aminoethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID152552673
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name2-amino-6-(2-aminoethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESNCCc1cc2c(=O)[nH]c(N)nc2[nH]1
InChIInChI=1S/C8H11N5O/c9-2-1-4-3-5-6(11-4)12-8(10)13-7(5)14/h3H,1-2,9H2,(H4,10,11,12,13,14)
InChIKeyYNUWBMRCVCLHJN-UHFFFAOYSA-N
XLogP-0.67
TPSA113.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-aminoethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-6-(2-aminoethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 152552673) is 2-amino-6-(2-aminoethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-(2-aminoethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-6-(2-aminoethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is NCCc1cc2c(=O)[nH]c(N)nc2[nH]1.
What is the InChIKey of 2-amino-6-(2-aminoethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is YNUWBMRCVCLHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c9-2-1-4-3-5-6(11-4)12-8(10)13-7(5)14/h3H,1-2,9H2,(H4,10,11,12,13,14).
What are the key properties of 2-amino-6-(2-aminoethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
2-amino-6-(2-aminoethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 193.21 g/mol, XLogP of -0.67, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-aminoethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 152552673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).