N-[6-(2,3-dihydroxypropoxy)pyrimidin-4-yl]acetamide

C9H13N3O4 — CID 145084497

IUPACN-[6-(2,3-dihydroxypropoxy)pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(OCC(O)CO)ncn1
InChIInChI=1S/C9H13N3O4/c1-6(14)12-8-2-9(11-5-10-8)16-4-7(15)3-13/h2,5,7,13,15H,3-4H2,1H3,(H,10,11,12,14)
InChIKeyPVXJFTMIMBTNAF-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.83
Rot. Bonds5

About N-[6-(2,3-dihydroxypropoxy)pyrimidin-4-yl]acetamide

N-[6-(2,3-dihydroxypropoxy)pyrimidin-4-yl]acetamide (PubChem CID 145084497) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is N-[6-(2,3-dihydroxypropoxy)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-(2,3-dihydroxypropoxy)pyrimidin-4-yl]acetamide
PubChem CID145084497
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC NameN-[6-(2,3-dihydroxypropoxy)pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(OCC(O)CO)ncn1
InChIInChI=1S/C9H13N3O4/c1-6(14)12-8-2-9(11-5-10-8)16-4-7(15)3-13/h2,5,7,13,15H,3-4H2,1H3,(H,10,11,12,14)
InChIKeyPVXJFTMIMBTNAF-UHFFFAOYSA-N
XLogP-0.83
TPSA104.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3-dihydroxypropoxy)pyrimidin-4-yl]acetamide?
The IUPAC name of N-[6-(2,3-dihydroxypropoxy)pyrimidin-4-yl]acetamide (CID 145084497) is N-[6-(2,3-dihydroxypropoxy)pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[6-(2,3-dihydroxypropoxy)pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[6-(2,3-dihydroxypropoxy)pyrimidin-4-yl]acetamide is CC(=O)Nc1cc(OCC(O)CO)ncn1.
What is the InChIKey of N-[6-(2,3-dihydroxypropoxy)pyrimidin-4-yl]acetamide?
The InChIKey is PVXJFTMIMBTNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-6(14)12-8-2-9(11-5-10-8)16-4-7(15)3-13/h2,5,7,13,15H,3-4H2,1H3,(H,10,11,12,14).
What are the key properties of N-[6-(2,3-dihydroxypropoxy)pyrimidin-4-yl]acetamide?
N-[6-(2,3-dihydroxypropoxy)pyrimidin-4-yl]acetamide has a molecular weight of 227.22 g/mol, XLogP of -0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,3-dihydroxypropoxy)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 145084497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).