2-amino-7-[1-(1-hydroxybutan-2-yloxy)ethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

C12H18N4O3 — CID 143157575

IUPAC2-amino-7-[1-(1-hydroxybutan-2-yloxy)ethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESCCC(CO)OC(C)c1c[nH]c2c(=O)[nH]c(N)nc12
InChIInChI=1S/C12H18N4O3/c1-3-7(5-17)19-6(2)8-4-14-10-9(8)15-12(13)16-11(10)18/h4,6-7,14,17H,3,5H2,1-2H3,(H3,13,15,16,18)
InChIKeyFDARZYHGSAIJJR-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.68
Rot. Bonds5

About 2-amino-7-[1-(1-hydroxybutan-2-yloxy)ethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

2-amino-7-[1-(1-hydroxybutan-2-yloxy)ethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 143157575) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-amino-7-[1-(1-hydroxybutan-2-yloxy)ethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-7-[1-(1-hydroxybutan-2-yloxy)ethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID143157575
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name2-amino-7-[1-(1-hydroxybutan-2-yloxy)ethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESCCC(CO)OC(C)c1c[nH]c2c(=O)[nH]c(N)nc12
InChIInChI=1S/C12H18N4O3/c1-3-7(5-17)19-6(2)8-4-14-10-9(8)15-12(13)16-11(10)18/h4,6-7,14,17H,3,5H2,1-2H3,(H3,13,15,16,18)
InChIKeyFDARZYHGSAIJJR-UHFFFAOYSA-N
XLogP0.68
TPSA117.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[1-(1-hydroxybutan-2-yloxy)ethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-amino-7-[1-(1-hydroxybutan-2-yloxy)ethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 143157575) is 2-amino-7-[1-(1-hydroxybutan-2-yloxy)ethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-7-[1-(1-hydroxybutan-2-yloxy)ethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-7-[1-(1-hydroxybutan-2-yloxy)ethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is CCC(CO)OC(C)c1c[nH]c2c(=O)[nH]c(N)nc12.
What is the InChIKey of 2-amino-7-[1-(1-hydroxybutan-2-yloxy)ethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is FDARZYHGSAIJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-3-7(5-17)19-6(2)8-4-14-10-9(8)15-12(13)16-11(10)18/h4,6-7,14,17H,3,5H2,1-2H3,(H3,13,15,16,18).
What are the key properties of 2-amino-7-[1-(1-hydroxybutan-2-yloxy)ethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
2-amino-7-[1-(1-hydroxybutan-2-yloxy)ethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 266.30 g/mol, XLogP of 0.68, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[1-(1-hydroxybutan-2-yloxy)ethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 143157575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).