2-(4,6-diaminopyrimidine-1,3-diium-2-yl)sulfanyl-N-naphthalen-1-ylacetamide

C16H17N5OS+2 — CID 4745060

IUPAC2-(4,6-diaminopyrimidine-1,3-diium-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
SMILESNc1cc(N)[nH+]c(SCC(=O)Nc2cccc3ccccc23)[nH+]1
InChIInChI=1S/C16H15N5OS/c17-13-8-14(18)21-16(20-13)23-9-15(22)19-12-7-3-5-10-4-1-2-6-11(10)12/h1-8H,9H2,(H,19,22)(H4,17,18,20,21)/p+2
InChIKeyIQEMLHBHEVNPOT-UHFFFAOYSA-P
MW327.41 g/mol
LogP1.36
Rot. Bonds4

About 2-(4,6-diaminopyrimidine-1,3-diium-2-yl)sulfanyl-N-naphthalen-1-ylacetamide

2-(4,6-diaminopyrimidine-1,3-diium-2-yl)sulfanyl-N-naphthalen-1-ylacetamide (PubChem CID 4745060) has the molecular formula C16H17N5OS+2 and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-(4,6-diaminopyrimidine-1,3-diium-2-yl)sulfanyl-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-(4,6-diaminopyrimidine-1,3-diium-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
PubChem CID4745060
Molecular FormulaC16H17N5OS+2
Molecular Weight327.41 g/mol
Exact Mass327.11
IUPAC Name2-(4,6-diaminopyrimidine-1,3-diium-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
SMILESNc1cc(N)[nH+]c(SCC(=O)Nc2cccc3ccccc23)[nH+]1
InChIInChI=1S/C16H15N5OS/c17-13-8-14(18)21-16(20-13)23-9-15(22)19-12-7-3-5-10-4-1-2-6-11(10)12/h1-8H,9H2,(H,19,22)(H4,17,18,20,21)/p+2
InChIKeyIQEMLHBHEVNPOT-UHFFFAOYSA-P
XLogP1.36
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(4,6-diaminopyrimidine-1,3-diium-2-yl)sulfanyl-N-naphthalen-1-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4,6-diaminopyrimidine-1,3-diium-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 4066646
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
2-amino-N-naphthalen-1-ylacetamide;hydrochloride
CID 47003070
N-naphthalen-1-yl-2-(2H-triazol-4-ylsulfanyl)acetamide
CID 6492812
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide
CID 3850892
3-fluoro-N-naphthalen-1-ylpropanamide
CID 67224476
2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-naphthalen-1-ylacetamide
CID 7183983
2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 7145516
2-(4-methylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 863146
naphthalen-1-ylurea;hydrochloride
CID 141142203
2-(3,3-dimethyl-2-oxobutyl)sulfanyl-N-naphthalen-1-ylacetamide
CID 9457130
N-(4-acetamidophenyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide
CID 9423860

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diaminopyrimidine-1,3-diium-2-yl)sulfanyl-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-(4,6-diaminopyrimidine-1,3-diium-2-yl)sulfanyl-N-naphthalen-1-ylacetamide (CID 4745060) is 2-(4,6-diaminopyrimidine-1,3-diium-2-yl)sulfanyl-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-(4,6-diaminopyrimidine-1,3-diium-2-yl)sulfanyl-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-(4,6-diaminopyrimidine-1,3-diium-2-yl)sulfanyl-N-naphthalen-1-ylacetamide is Nc1cc(N)[nH+]c(SCC(=O)Nc2cccc3ccccc23)[nH+]1.
What is the InChIKey of 2-(4,6-diaminopyrimidine-1,3-diium-2-yl)sulfanyl-N-naphthalen-1-ylacetamide?
The InChIKey is IQEMLHBHEVNPOT-UHFFFAOYSA-P. The full InChI is InChI=1S/C16H15N5OS/c17-13-8-14(18)21-16(20-13)23-9-15(22)19-12-7-3-5-10-4-1-2-6-11(10)12/h1-8H,9H2,(H,19,22)(H4,17,18,20,21)/p+2.
What are the key properties of 2-(4,6-diaminopyrimidine-1,3-diium-2-yl)sulfanyl-N-naphthalen-1-ylacetamide?
2-(4,6-diaminopyrimidine-1,3-diium-2-yl)sulfanyl-N-naphthalen-1-ylacetamide has a molecular weight of 327.41 g/mol, XLogP of 1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diaminopyrimidine-1,3-diium-2-yl)sulfanyl-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 4745060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).