2-amino-7-methyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethane

C9H14N4O — CID 145277764

IUPAC2-amino-7-methyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethane
SMILESCC.CC1C=Nc2c1nc(N)[nH]c2=O
InChIInChI=1S/C7H8N4O.C2H6/c1-3-2-9-5-4(3)10-7(8)11-6(5)12;1-2/h2-3H,1H3,(H3,8,10,11,12);1-2H3
InChIKeyMLVXLCZTGRJBPX-UHFFFAOYSA-N
MW194.24 g/mol
LogP1.20
Rot. Bonds

About 2-amino-7-methyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethane

2-amino-7-methyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethane (PubChem CID 145277764) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-amino-7-methyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethane.

Molecular Properties

Compound Name2-amino-7-methyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethane
PubChem CID145277764
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name2-amino-7-methyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethane
SMILESCC.CC1C=Nc2c1nc(N)[nH]c2=O
InChIInChI=1S/C7H8N4O.C2H6/c1-3-2-9-5-4(3)10-7(8)11-6(5)12;1-2/h2-3H,1H3,(H3,8,10,11,12);1-2H3
InChIKeyMLVXLCZTGRJBPX-UHFFFAOYSA-N
XLogP1.20
TPSA84.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-methyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethane?
The IUPAC name of 2-amino-7-methyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethane (CID 145277764) is 2-amino-7-methyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethane.
What is the SMILES notation for 2-amino-7-methyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethane?
The canonical SMILES for 2-amino-7-methyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethane is CC.CC1C=Nc2c1nc(N)[nH]c2=O.
What is the InChIKey of 2-amino-7-methyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethane?
The InChIKey is MLVXLCZTGRJBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O.C2H6/c1-3-2-9-5-4(3)10-7(8)11-6(5)12;1-2/h2-3H,1H3,(H3,8,10,11,12);1-2H3.
What are the key properties of 2-amino-7-methyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethane?
2-amino-7-methyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethane has a molecular weight of 194.24 g/mol, XLogP of 1.20, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-methyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethane is sourced from PubChem (CID 145277764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).