2-amino-7-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

C10H15N5O3 — CID 135858780

IUPAC2-amino-7-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESNc1nc2c(CNC(CO)CO)c[nH]c2c(=O)[nH]1
InChIInChI=1S/C10H15N5O3/c11-10-14-7-5(1-12-6(3-16)4-17)2-13-8(7)9(18)15-10/h2,6,12-13,16-17H,1,3-4H2,(H3,11,14,15,18)
InChIKeyODSSPGZQDUORCO-UHFFFAOYSA-N
MW253.26 g/mol
LogP-1.72
Rot. Bonds5

About 2-amino-7-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

2-amino-7-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 135858780) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-amino-7-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-7-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID135858780
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC Name2-amino-7-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESNc1nc2c(CNC(CO)CO)c[nH]c2c(=O)[nH]1
InChIInChI=1S/C10H15N5O3/c11-10-14-7-5(1-12-6(3-16)4-17)2-13-8(7)9(18)15-10/h2,6,12-13,16-17H,1,3-4H2,(H3,11,14,15,18)
InChIKeyODSSPGZQDUORCO-UHFFFAOYSA-N
XLogP-1.72
TPSA140.05 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.26
LogP ≤ 5-1.72
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-amino-7-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 135858780) is 2-amino-7-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-7-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-7-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is Nc1nc2c(CNC(CO)CO)c[nH]c2c(=O)[nH]1.
What is the InChIKey of 2-amino-7-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is ODSSPGZQDUORCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3/c11-10-14-7-5(1-12-6(3-16)4-17)2-13-8(7)9(18)15-10/h2,6,12-13,16-17H,1,3-4H2,(H3,11,14,15,18).
What are the key properties of 2-amino-7-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
2-amino-7-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 253.26 g/mol, XLogP of -1.72, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135858780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).