(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methylazanium

C7H10N5O+ — CID 135398562

IUPAC(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methylazanium
SMILESNc1nc2[nH]cc(C[NH3+])c2c(=O)[nH]1
InChIInChI=1S/C7H9N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,1,8H2,(H4,9,10,11,12,13)/p+1
InChIKeyMEYMBLGOKYDGLZ-UHFFFAOYSA-O
MW180.19 g/mol
LogP-1.42
Rot. Bonds1

About (2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methylazanium

(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methylazanium (PubChem CID 135398562) has the molecular formula C7H10N5O+ and a molecular weight of 180.19 g/mol. Its IUPAC name is (2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methylazanium.

Molecular Properties

Compound Name(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methylazanium
PubChem CID135398562
Molecular FormulaC7H10N5O+
Molecular Weight180.19 g/mol
Exact Mass180.09
IUPAC Name(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methylazanium
SMILESNc1nc2[nH]cc(C[NH3+])c2c(=O)[nH]1
InChIInChI=1S/C7H9N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,1,8H2,(H4,9,10,11,12,13)/p+1
InChIKeyMEYMBLGOKYDGLZ-UHFFFAOYSA-O
XLogP-1.42
TPSA115.20 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.19
LogP ≤ 5-1.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methylazanium?
The IUPAC name of (2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methylazanium (CID 135398562) is (2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methylazanium.
What is the SMILES notation for (2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methylazanium?
The canonical SMILES for (2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methylazanium is Nc1nc2[nH]cc(C[NH3+])c2c(=O)[nH]1.
What is the InChIKey of (2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methylazanium?
The InChIKey is MEYMBLGOKYDGLZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H9N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,1,8H2,(H4,9,10,11,12,13)/p+1.
What are the key properties of (2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methylazanium?
(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methylazanium has a molecular weight of 180.19 g/mol, XLogP of -1.42, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methylazanium is sourced from PubChem (CID 135398562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).