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

C13H15N5O2S — CID 846576

IUPAC2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CSc1nc(N)cc(N)n1
InChIInChI=1S/C13H15N5O2S/c1-20-9-5-3-2-4-8(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)
InChIKeyOBCKCJWGSMABRR-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.38
Rot. Bonds5

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

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide (PubChem CID 846576) 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-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide
PubChem CID846576
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CSc1nc(N)cc(N)n1
InChIInChI=1S/C13H15N5O2S/c1-20-9-5-3-2-4-8(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)
InChIKeyOBCKCJWGSMABRR-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

3-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-1-(2-methoxyphenyl)pyrrole-2,5-dione
CID 1867183
N-(2-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine
CID 853509
3-[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
CID 3148623
2-((4,6-Dimethylpyrimidin-2-yl)thio)-N-(4-ethoxyphenyl)acetamide
CID 769987
2-(4,6-dimethylpyrimidin-2-ylthio)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 815338
N-(2-methoxyphenyl)-6-[(2-pyrimidinylthio)methyl]-1,3,5-triazine-2,4-diamine
CID 901224
6-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-N2-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 1090230
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-methoxy-5-nitrophenyl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
CID 2391270
N-(2-methoxy-5-nitrophenyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2562806
N-[2-(butylsulfanyl)-6-methyl-4-pyrimidinyl]-N'-(4-methoxyphenyl)thiourea
CID 3599792

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide (CID 846576) is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CSc1nc(N)cc(N)n1.
What is the InChIKey of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide?
The InChIKey is OBCKCJWGSMABRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c1-20-9-5-3-2-4-8(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-(2-methoxyphenyl)acetamide?
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-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-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 846576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).