N-[3-(2-chloro-4-methoxypyrimidin-5-yl)-2,3-dihydroxypropyl]acetamide

C10H14ClN3O4 — CID 170830052

IUPACN-[3-(2-chloro-4-methoxypyrimidin-5-yl)-2,3-dihydroxypropyl]acetamide
SMILESCOc1nc(Cl)ncc1C(O)C(O)CNC(C)=O
InChIInChI=1S/C10H14ClN3O4/c1-5(15)12-4-7(16)8(17)6-3-13-10(11)14-9(6)18-2/h3,7-8,16-17H,4H2,1-2H3,(H,12,15)
InChIKeyYCZPXGHYLHJHIL-UHFFFAOYSA-N
MW275.69 g/mol
LogP-0.33
Rot. Bonds5

About N-[3-(2-chloro-4-methoxypyrimidin-5-yl)-2,3-dihydroxypropyl]acetamide

N-[3-(2-chloro-4-methoxypyrimidin-5-yl)-2,3-dihydroxypropyl]acetamide (PubChem CID 170830052) has the molecular formula C10H14ClN3O4 and a molecular weight of 275.69 g/mol. Its IUPAC name is N-[3-(2-chloro-4-methoxypyrimidin-5-yl)-2,3-dihydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-chloro-4-methoxypyrimidin-5-yl)-2,3-dihydroxypropyl]acetamide
PubChem CID170830052
Molecular FormulaC10H14ClN3O4
Molecular Weight275.69 g/mol
Exact Mass275.07
IUPAC NameN-[3-(2-chloro-4-methoxypyrimidin-5-yl)-2,3-dihydroxypropyl]acetamide
SMILESCOc1nc(Cl)ncc1C(O)C(O)CNC(C)=O
InChIInChI=1S/C10H14ClN3O4/c1-5(15)12-4-7(16)8(17)6-3-13-10(11)14-9(6)18-2/h3,7-8,16-17H,4H2,1-2H3,(H,12,15)
InChIKeyYCZPXGHYLHJHIL-UHFFFAOYSA-N
XLogP-0.33
TPSA104.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.69
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2,3-dihydroxy-3-(2-methoxy-5-nitro-3-pyridinyl)propyl]acetamide
CID 170830706
N-[4-(2,4-dichloropyrimidin-5-yl)-3,4-dihydroxybutyl]acetamide
CID 171882730
tert-butyl N-[3-(2,4-dimethoxypyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate
CID 170832495
9H-fluoren-9-ylmethyl N-[4-(2-chloro-4-methoxypyrimidin-5-yl)-3,4-dihydroxybutyl]carbamate
CID 171886627
tert-butyl N-[3-(5-chloro-2-methoxy-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 170832220
N-[2,3-dihydroxy-3-(4-methoxy-2,5-dimethylphenyl)propyl]acetamide
CID 170830397
N-[3-(2-bromo-4,5-dimethoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170831307
N-[2,3-dihydroxy-3-(2,3,5-trichlorophenyl)propyl]acetamide
CID 170829873
N-(2,3-dihydroxy-3-pyrimidin-5-ylpropyl)acetamide
CID 170829458
methyl 2-chloro-4-methoxypyrimidine-5-carboxylate
CID 71741355
N-[3-(5-amino-1H-pyrazol-4-yl)-2,3-dihydroxypropyl]acetamide
CID 170829471
N-[3-(5-chloro-3-fluoro-2-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170829808

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chloro-4-methoxypyrimidin-5-yl)-2,3-dihydroxypropyl]acetamide?
The IUPAC name of N-[3-(2-chloro-4-methoxypyrimidin-5-yl)-2,3-dihydroxypropyl]acetamide (CID 170830052) is N-[3-(2-chloro-4-methoxypyrimidin-5-yl)-2,3-dihydroxypropyl]acetamide.
What is the SMILES notation for N-[3-(2-chloro-4-methoxypyrimidin-5-yl)-2,3-dihydroxypropyl]acetamide?
The canonical SMILES for N-[3-(2-chloro-4-methoxypyrimidin-5-yl)-2,3-dihydroxypropyl]acetamide is COc1nc(Cl)ncc1C(O)C(O)CNC(C)=O.
What is the InChIKey of N-[3-(2-chloro-4-methoxypyrimidin-5-yl)-2,3-dihydroxypropyl]acetamide?
The InChIKey is YCZPXGHYLHJHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O4/c1-5(15)12-4-7(16)8(17)6-3-13-10(11)14-9(6)18-2/h3,7-8,16-17H,4H2,1-2H3,(H,12,15).
What are the key properties of N-[3-(2-chloro-4-methoxypyrimidin-5-yl)-2,3-dihydroxypropyl]acetamide?
N-[3-(2-chloro-4-methoxypyrimidin-5-yl)-2,3-dihydroxypropyl]acetamide has a molecular weight of 275.69 g/mol, XLogP of -0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chloro-4-methoxypyrimidin-5-yl)-2,3-dihydroxypropyl]acetamide is sourced from PubChem (CID 170830052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).