2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(2-methylcyclohexyl)carbamoyl]acetamide

C14H22N6O2S — CID 4831614

IUPAC2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(2-methylcyclohexyl)carbamoyl]acetamide
SMILESCC1CCCCC1NC(=O)NC(=O)CSc1nc(N)cc(N)n1
InChIInChI=1S/C14H22N6O2S/c1-8-4-2-3-5-9(8)17-13(22)20-12(21)7-23-14-18-10(15)6-11(16)19-14/h6,8-9H,2-5,7H2,1H3,(H4,15,16,18,19)(H2,17,20,21,22)
InChIKeyWYOXWQTZGXGNBU-UHFFFAOYSA-N
MW338.44 g/mol
LogP1.14
Rot. Bonds4

About 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(2-methylcyclohexyl)carbamoyl]acetamide

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(2-methylcyclohexyl)carbamoyl]acetamide (PubChem CID 4831614) has the molecular formula C14H22N6O2S and a molecular weight of 338.44 g/mol. Its IUPAC name is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(2-methylcyclohexyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(2-methylcyclohexyl)carbamoyl]acetamide
PubChem CID4831614
Molecular FormulaC14H22N6O2S
Molecular Weight338.44 g/mol
Exact Mass338.15
IUPAC Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(2-methylcyclohexyl)carbamoyl]acetamide
SMILESCC1CCCCC1NC(=O)NC(=O)CSc1nc(N)cc(N)n1
InChIInChI=1S/C14H22N6O2S/c1-8-4-2-3-5-9(8)17-13(22)20-12(21)7-23-14-18-10(15)6-11(16)19-14/h6,8-9H,2-5,7H2,1H3,(H4,15,16,18,19)(H2,17,20,21,22)
InChIKeyWYOXWQTZGXGNBU-UHFFFAOYSA-N
XLogP1.14
TPSA136.02 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 51.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(2-methylcyclohexyl)carbamoyl]acetamide?
The IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(2-methylcyclohexyl)carbamoyl]acetamide (CID 4831614) is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(2-methylcyclohexyl)carbamoyl]acetamide.
What is the SMILES notation for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(2-methylcyclohexyl)carbamoyl]acetamide?
The canonical SMILES for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(2-methylcyclohexyl)carbamoyl]acetamide is CC1CCCCC1NC(=O)NC(=O)CSc1nc(N)cc(N)n1.
What is the InChIKey of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(2-methylcyclohexyl)carbamoyl]acetamide?
The InChIKey is WYOXWQTZGXGNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O2S/c1-8-4-2-3-5-9(8)17-13(22)20-12(21)7-23-14-18-10(15)6-11(16)19-14/h6,8-9H,2-5,7H2,1H3,(H4,15,16,18,19)(H2,17,20,21,22).
What are the key properties of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(2-methylcyclohexyl)carbamoyl]acetamide?
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(2-methylcyclohexyl)carbamoyl]acetamide has a molecular weight of 338.44 g/mol, XLogP of 1.14, 4 rotatable bonds, 4 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-methylcyclohexyl)carbamoyl]acetamide is sourced from PubChem (CID 4831614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).