1-amino-3-(furo[2,3-d]pyrimidin-2-ylamino)propane-1,3-diol

C9H12N4O3 — CID 69233160

IUPAC1-amino-3-(furo[2,3-d]pyrimidin-2-ylamino)propane-1,3-diol
SMILESNC(O)CC(O)Nc1ncc2ccoc2n1
InChIInChI=1S/C9H12N4O3/c10-6(14)3-7(15)12-9-11-4-5-1-2-16-8(5)13-9/h1-2,4,6-7,14-15H,3,10H2,(H,11,12,13)
InChIKeyZWRFPZPAYXCKAC-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.38
Rot. Bonds4

About 1-amino-3-(furo[2,3-d]pyrimidin-2-ylamino)propane-1,3-diol

1-amino-3-(furo[2,3-d]pyrimidin-2-ylamino)propane-1,3-diol (PubChem CID 69233160) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 1-amino-3-(furo[2,3-d]pyrimidin-2-ylamino)propane-1,3-diol.

Molecular Properties

Compound Name1-amino-3-(furo[2,3-d]pyrimidin-2-ylamino)propane-1,3-diol
PubChem CID69233160
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name1-amino-3-(furo[2,3-d]pyrimidin-2-ylamino)propane-1,3-diol
SMILESNC(O)CC(O)Nc1ncc2ccoc2n1
InChIInChI=1S/C9H12N4O3/c10-6(14)3-7(15)12-9-11-4-5-1-2-16-8(5)13-9/h1-2,4,6-7,14-15H,3,10H2,(H,11,12,13)
InChIKeyZWRFPZPAYXCKAC-UHFFFAOYSA-N
XLogP-0.38
TPSA117.43 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(furo[2,3-d]pyrimidin-2-ylamino)propane-1,3-diol?
The IUPAC name of 1-amino-3-(furo[2,3-d]pyrimidin-2-ylamino)propane-1,3-diol (CID 69233160) is 1-amino-3-(furo[2,3-d]pyrimidin-2-ylamino)propane-1,3-diol.
What is the SMILES notation for 1-amino-3-(furo[2,3-d]pyrimidin-2-ylamino)propane-1,3-diol?
The canonical SMILES for 1-amino-3-(furo[2,3-d]pyrimidin-2-ylamino)propane-1,3-diol is NC(O)CC(O)Nc1ncc2ccoc2n1.
What is the InChIKey of 1-amino-3-(furo[2,3-d]pyrimidin-2-ylamino)propane-1,3-diol?
The InChIKey is ZWRFPZPAYXCKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c10-6(14)3-7(15)12-9-11-4-5-1-2-16-8(5)13-9/h1-2,4,6-7,14-15H,3,10H2,(H,11,12,13).
What are the key properties of 1-amino-3-(furo[2,3-d]pyrimidin-2-ylamino)propane-1,3-diol?
1-amino-3-(furo[2,3-d]pyrimidin-2-ylamino)propane-1,3-diol has a molecular weight of 224.22 g/mol, XLogP of -0.38, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(furo[2,3-d]pyrimidin-2-ylamino)propane-1,3-diol is sourced from PubChem (CID 69233160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).