2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide

C13H15N5O2S — CID 751748

IUPAC2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CSc2nc(N)cc(N)n2)c1
InChIInChI=1S/C13H15N5O2S/c1-20-9-4-2-3-8(5-9)16-12(19)7-21-13-17-10(14)6-11(15)18-13/h2-6H,7H2,1H3,(H,16,19)(H4,14,15,17,18)
InChIKeyCVJQNKBDVYEJLV-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.38
Rot. Bonds5

About 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide (PubChem CID 751748) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide
PubChem CID751748
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CSc2nc(N)cc(N)n2)c1
InChIInChI=1S/C13H15N5O2S/c1-20-9-4-2-3-8(5-9)16-12(19)7-21-13-17-10(14)6-11(15)18-13/h2-6H,7H2,1H3,(H,16,19)(H4,14,15,17,18)
InChIKeyCVJQNKBDVYEJLV-UHFFFAOYSA-N
XLogP1.38
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-Methoxyphenyl)-3-(6-methylpyridin-2-yl)urea
CID 769376
N-(4-{[6-(2-formylhydrazino)-2-(methylsulfanyl)-4-pyrimidinyl]oxy}phenyl)acetamide
CID 1818784
N-Benzo[1,3]dioxol-5-yl-2-(4,6-diamino-pyrimidin-2-ylsulfanyl)-acetamide
CID 2627302
3-[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 3952446
2-((4,6-Dimethylpyrimidin-2-yl)thio)-N-(4-ethoxyphenyl)acetamide
CID 769987
2-((4,6-Diaminopyrimidin-2-yl)thio)-N-(2-methoxyphenyl)acetamide
CID 846576
2-[(5-amino-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio]-N-(3-methoxyphenyl)acetamide
CID 1434102
2-[(4-Methyl-6-phenoxy-2-pyrimidinyl)thio]acetamide
CID 2201505
N-(4-methoxyphenyl)-2-{[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]thio}acetamide
CID 2236145
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 3395682
N-[2-(butylsulfanyl)-6-methyl-4-pyrimidinyl]-N'-(4-methoxyphenyl)thiourea
CID 3599792
2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9418795

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide (CID 751748) is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CSc2nc(N)cc(N)n2)c1.
What is the InChIKey of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide?
The InChIKey is CVJQNKBDVYEJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c1-20-9-4-2-3-8(5-9)16-12(19)7-21-13-17-10(14)6-11(15)18-13/h2-6H,7H2,1H3,(H,16,19)(H4,14,15,17,18).
What are the key properties of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide?
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide has a molecular weight of 305.36 g/mol, XLogP of 1.38, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 751748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).