N-(6-phenylmethoxy-2-propylsulfanylpyrimidin-4-yl)acetamide

C16H19N3O2S — CID 24768444

IUPACN-(6-phenylmethoxy-2-propylsulfanylpyrimidin-4-yl)acetamide
SMILESCCCSc1nc(NC(C)=O)cc(OCc2ccccc2)n1
InChIInChI=1S/C16H19N3O2S/c1-3-9-22-16-18-14(17-12(2)20)10-15(19-16)21-11-13-7-5-4-6-8-13/h4-8,10H,3,9,11H2,1-2H3,(H,17,18,19,20)
InChIKeyGACMOWSTZKJISX-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.52
Rot. Bonds7

About N-(6-phenylmethoxy-2-propylsulfanylpyrimidin-4-yl)acetamide

N-(6-phenylmethoxy-2-propylsulfanylpyrimidin-4-yl)acetamide (PubChem CID 24768444) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(6-phenylmethoxy-2-propylsulfanylpyrimidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(6-phenylmethoxy-2-propylsulfanylpyrimidin-4-yl)acetamide
PubChem CID24768444
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-(6-phenylmethoxy-2-propylsulfanylpyrimidin-4-yl)acetamide
SMILESCCCSc1nc(NC(C)=O)cc(OCc2ccccc2)n1
InChIInChI=1S/C16H19N3O2S/c1-3-9-22-16-18-14(17-12(2)20)10-15(19-16)21-11-13-7-5-4-6-8-13/h4-8,10H,3,9,11H2,1-2H3,(H,17,18,19,20)
InChIKeyGACMOWSTZKJISX-UHFFFAOYSA-N
XLogP3.52
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylsulfanyl-6-phenylmethoxy-N-propylpyrimidin-4-amine
CID 80858727
1-(4-methyl-6-phenylmethoxypyrimidin-2-yl)ethanone
CID 170640785
N-methyl-6-phenylmethoxy-2-propylpyrimidin-4-amine
CID 80950051
6-acetamido-3-phenylmethoxypyridine-2-carboxylic acid
CID 15239997
4-chloro-6-phenylmethoxy-2-propylpyrimidine
CID 80939582
N-(4-phenylmethoxy-3-propylphenyl)acetamide
CID 57080743
N-(6-formyl-5-phenylmethoxy-2-pyridinyl)acetamide
CID 15239996
4-bromo-2-methylsulfanyl-6-phenylmethoxypyrimidine
CID 19690807
N-ethyl-2-phenylmethoxypyridine-4-carboxamide
CID 47366269
2-(2-benzylsulfanyl-6-methylpyrimidin-4-yl)oxyacetic acid
CID 70198672
4-methyl-4-[(6-phenylmethoxypyrimidin-4-yl)amino]pentanoic acid
CID 122059012
2-chloro-6-phenylmethoxy-N,N-dipropylpyridine-4-carboxamide
CID 129054347

Frequently Asked Questions

What is the IUPAC name of N-(6-phenylmethoxy-2-propylsulfanylpyrimidin-4-yl)acetamide?
The IUPAC name of N-(6-phenylmethoxy-2-propylsulfanylpyrimidin-4-yl)acetamide (CID 24768444) is N-(6-phenylmethoxy-2-propylsulfanylpyrimidin-4-yl)acetamide.
What is the SMILES notation for N-(6-phenylmethoxy-2-propylsulfanylpyrimidin-4-yl)acetamide?
The canonical SMILES for N-(6-phenylmethoxy-2-propylsulfanylpyrimidin-4-yl)acetamide is CCCSc1nc(NC(C)=O)cc(OCc2ccccc2)n1.
What is the InChIKey of N-(6-phenylmethoxy-2-propylsulfanylpyrimidin-4-yl)acetamide?
The InChIKey is GACMOWSTZKJISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-3-9-22-16-18-14(17-12(2)20)10-15(19-16)21-11-13-7-5-4-6-8-13/h4-8,10H,3,9,11H2,1-2H3,(H,17,18,19,20).
What are the key properties of N-(6-phenylmethoxy-2-propylsulfanylpyrimidin-4-yl)acetamide?
N-(6-phenylmethoxy-2-propylsulfanylpyrimidin-4-yl)acetamide has a molecular weight of 317.41 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-phenylmethoxy-2-propylsulfanylpyrimidin-4-yl)acetamide is sourced from PubChem (CID 24768444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).