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

C10H14N4O3 — CID 135723758

IUPAC7-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c(CNC(CO)CO)c[nH]c12
InChIInChI=1S/C10H14N4O3/c15-3-7(4-16)11-1-6-2-12-9-8(6)13-5-14-10(9)17/h2,5,7,11-12,15-16H,1,3-4H2,(H,13,14,17)
InChIKeyYGATXRRSBPFSBK-UHFFFAOYSA-N
MW238.25 g/mol
LogP-1.31
Rot. Bonds5

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

7-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 135723758) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 7-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID135723758
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name7-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c(CNC(CO)CO)c[nH]c12
InChIInChI=1S/C10H14N4O3/c15-3-7(4-16)11-1-6-2-12-9-8(6)13-5-14-10(9)17/h2,5,7,11-12,15-16H,1,3-4H2,(H,13,14,17)
InChIKeyYGATXRRSBPFSBK-UHFFFAOYSA-N
XLogP-1.31
TPSA114.03 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-1.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 135723758) is 7-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is O=c1[nH]cnc2c(CNC(CO)CO)c[nH]c12.
What is the InChIKey of 7-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is YGATXRRSBPFSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c15-3-7(4-16)11-1-6-2-12-9-8(6)13-5-14-10(9)17/h2,5,7,11-12,15-16H,1,3-4H2,(H,13,14,17).
What are the key properties of 7-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
7-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 238.25 g/mol, XLogP of -1.31, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135723758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).