N-(2,3-dihydroxy-3-pyrimidin-5-ylpropyl)acetamide

C9H13N3O3 — CID 170829458

IUPACN-(2,3-dihydroxy-3-pyrimidin-5-ylpropyl)acetamide
SMILESCC(=O)NCC(O)C(O)c1cncnc1
InChIInChI=1S/C9H13N3O3/c1-6(13)12-4-8(14)9(15)7-2-10-5-11-3-7/h2-3,5,8-9,14-15H,4H2,1H3,(H,12,13)
InChIKeyOVWUGHLPZQFTPO-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.99
Rot. Bonds4

About N-(2,3-dihydroxy-3-pyrimidin-5-ylpropyl)acetamide

N-(2,3-dihydroxy-3-pyrimidin-5-ylpropyl)acetamide (PubChem CID 170829458) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-(2,3-dihydroxy-3-pyrimidin-5-ylpropyl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydroxy-3-pyrimidin-5-ylpropyl)acetamide
PubChem CID170829458
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC NameN-(2,3-dihydroxy-3-pyrimidin-5-ylpropyl)acetamide
SMILESCC(=O)NCC(O)C(O)c1cncnc1
InChIInChI=1S/C9H13N3O3/c1-6(13)12-4-8(14)9(15)7-2-10-5-11-3-7/h2-3,5,8-9,14-15H,4H2,1H3,(H,12,13)
InChIKeyOVWUGHLPZQFTPO-UHFFFAOYSA-N
XLogP-0.99
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(5-bromo-3-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170831115
methyl 5-(3-acetamido-1,2-dihydroxypropyl)pyridine-3-carboxylate
CID 170830510
N-[2,3-dihydroxy-3-[5-(trifluoromethyl)-3-pyridinyl]propyl]acetamide
CID 170830460
N-[2,3-dihydroxy-3-(3-methylimidazol-4-yl)propyl]acetamide
CID 170829461
N-[2,3-dihydroxy-3-(6-methyl-3-pyridinyl)propyl]acetamide
CID 170829544
N-[3-(4-aminophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829554
N-[3-(4-chlorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829480
4-(3-acetamido-1,2-dihydroxypropyl)benzoic acid
CID 170829918
N-[3-(5-amino-6-chloro-3-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170829700
N-[2,3-dihydroxy-3-(5-phenylmethoxy-3-pyridinyl)propyl]acetamide
CID 170831077
N-[3-(3-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170829540
[4-(3-acetamido-1,2-dihydroxypropyl)phenyl] acetate
CID 170831378

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxy-3-pyrimidin-5-ylpropyl)acetamide?
The IUPAC name of N-(2,3-dihydroxy-3-pyrimidin-5-ylpropyl)acetamide (CID 170829458) is N-(2,3-dihydroxy-3-pyrimidin-5-ylpropyl)acetamide.
What is the SMILES notation for N-(2,3-dihydroxy-3-pyrimidin-5-ylpropyl)acetamide?
The canonical SMILES for N-(2,3-dihydroxy-3-pyrimidin-5-ylpropyl)acetamide is CC(=O)NCC(O)C(O)c1cncnc1.
What is the InChIKey of N-(2,3-dihydroxy-3-pyrimidin-5-ylpropyl)acetamide?
The InChIKey is OVWUGHLPZQFTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-6(13)12-4-8(14)9(15)7-2-10-5-11-3-7/h2-3,5,8-9,14-15H,4H2,1H3,(H,12,13).
What are the key properties of N-(2,3-dihydroxy-3-pyrimidin-5-ylpropyl)acetamide?
N-(2,3-dihydroxy-3-pyrimidin-5-ylpropyl)acetamide has a molecular weight of 211.22 g/mol, XLogP of -0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxy-3-pyrimidin-5-ylpropyl)acetamide is sourced from PubChem (CID 170829458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).