N-(cyclohexen-1-yl)-N-cyclopropyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide

C15H21N5OS — CID 18193628

IUPACN-(cyclohexen-1-yl)-N-cyclopropyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
SMILESNc1cc(N)nc(SCC(=O)N(C2=CCCCC2)C2CC2)n1
InChIInChI=1S/C15H21N5OS/c16-12-8-13(17)19-15(18-12)22-9-14(21)20(11-6-7-11)10-4-2-1-3-5-10/h4,8,11H,1-3,5-7,9H2,(H4,16,17,18,19)
InChIKeyHHZWTAUOAUTCNV-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.18
Rot. Bonds5

About N-(cyclohexen-1-yl)-N-cyclopropyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide

N-(cyclohexen-1-yl)-N-cyclopropyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide (PubChem CID 18193628) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(cyclohexen-1-yl)-N-cyclopropyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(cyclohexen-1-yl)-N-cyclopropyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
PubChem CID18193628
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC NameN-(cyclohexen-1-yl)-N-cyclopropyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
SMILESNc1cc(N)nc(SCC(=O)N(C2=CCCCC2)C2CC2)n1
InChIInChI=1S/C15H21N5OS/c16-12-8-13(17)19-15(18-12)22-9-14(21)20(11-6-7-11)10-4-2-1-3-5-10/h4,8,11H,1-3,5-7,9H2,(H4,16,17,18,19)
InChIKeyHHZWTAUOAUTCNV-UHFFFAOYSA-N
XLogP2.18
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-yl)-N-cyclopropyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(cyclohexen-1-yl)-N-cyclopropyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide (CID 18193628) is N-(cyclohexen-1-yl)-N-cyclopropyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(cyclohexen-1-yl)-N-cyclopropyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(cyclohexen-1-yl)-N-cyclopropyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide is Nc1cc(N)nc(SCC(=O)N(C2=CCCCC2)C2CC2)n1.
What is the InChIKey of N-(cyclohexen-1-yl)-N-cyclopropyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide?
The InChIKey is HHZWTAUOAUTCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c16-12-8-13(17)19-15(18-12)22-9-14(21)20(11-6-7-11)10-4-2-1-3-5-10/h4,8,11H,1-3,5-7,9H2,(H4,16,17,18,19).
What are the key properties of N-(cyclohexen-1-yl)-N-cyclopropyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide?
N-(cyclohexen-1-yl)-N-cyclopropyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide has a molecular weight of 319.43 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-yl)-N-cyclopropyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 18193628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).