N-(3-amino-2-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide

C13H16N6OS — CID 61296037

IUPACN-(3-amino-2-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
SMILESCc1c(N)cccc1NC(=O)CSc1nc(N)cc(N)n1
InChIInChI=1S/C13H16N6OS/c1-7-8(14)3-2-4-9(7)17-12(20)6-21-13-18-10(15)5-11(16)19-13/h2-5H,6,14H2,1H3,(H,17,20)(H4,15,16,18,19)
InChIKeyYVCJMQNPLVXQGI-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.26
Rot. Bonds4

About N-(3-amino-2-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide

N-(3-amino-2-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide (PubChem CID 61296037) has the molecular formula C13H16N6OS and a molecular weight of 304.38 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
PubChem CID61296037
Molecular FormulaC13H16N6OS
Molecular Weight304.38 g/mol
Exact Mass304.11
IUPAC NameN-(3-amino-2-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
SMILESCc1c(N)cccc1NC(=O)CSc1nc(N)cc(N)n1
InChIInChI=1S/C13H16N6OS/c1-7-8(14)3-2-4-9(7)17-12(20)6-21-13-18-10(15)5-11(16)19-13/h2-5H,6,14H2,1H3,(H,17,20)(H4,15,16,18,19)
InChIKeyYVCJMQNPLVXQGI-UHFFFAOYSA-N
XLogP1.26
TPSA132.94 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-methylsulfanylphenyl)acetamide
CID 4805262
N-(2-amino-4-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 61297344
2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]benzamide
CID 2224520
N-(2-bromophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 1143775
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 40663166
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 40663485
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,6-diethylphenyl)acetamide
CID 863621
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-nitrophenyl)acetamide
CID 3138497
N-(3-amino-2-methylphenyl)-2-(2-methylfuran-3-yl)sulfanylacetamide
CID 107780020
methyl 2-[2-(3-amino-2-methylanilino)-2-oxoethyl]sulfanylacetate
CID 43618012
2-(2-amino-6-chlorophenyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide
CID 43304715
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide
CID 3627095

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide (CID 61296037) is N-(3-amino-2-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide is Cc1c(N)cccc1NC(=O)CSc1nc(N)cc(N)n1.
What is the InChIKey of N-(3-amino-2-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide?
The InChIKey is YVCJMQNPLVXQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6OS/c1-7-8(14)3-2-4-9(7)17-12(20)6-21-13-18-10(15)5-11(16)19-13/h2-5H,6,14H2,1H3,(H,17,20)(H4,15,16,18,19).
What are the key properties of N-(3-amino-2-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide?
N-(3-amino-2-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide has a molecular weight of 304.38 g/mol, XLogP of 1.26, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 61296037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).