N-(3-amino-4-methylpentyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylacetamide

C15H26N4OS — CID 119660589

IUPACN-(3-amino-4-methylpentyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylacetamide
SMILESCc1cc(C)nc(SCC(=O)N(C)CCC(N)C(C)C)n1
InChIInChI=1S/C15H26N4OS/c1-10(2)13(16)6-7-19(5)14(20)9-21-15-17-11(3)8-12(4)18-15/h8,10,13H,6-7,9,16H2,1-5H3
InChIKeyNWTJHILNQIPUCE-UHFFFAOYSA-N
MW310.47 g/mol
LogP2.02
Rot. Bonds7

About N-(3-amino-4-methylpentyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylacetamide

N-(3-amino-4-methylpentyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylacetamide (PubChem CID 119660589) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylacetamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylacetamide
PubChem CID119660589
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC NameN-(3-amino-4-methylpentyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylacetamide
SMILESCc1cc(C)nc(SCC(=O)N(C)CCC(N)C(C)C)n1
InChIInChI=1S/C15H26N4OS/c1-10(2)13(16)6-7-19(5)14(20)9-21-15-17-11(3)8-12(4)18-15/h8,10,13H,6-7,9,16H2,1-5H3
InChIKeyNWTJHILNQIPUCE-UHFFFAOYSA-N
XLogP2.02
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-4-methylpentyl)-N-methyl-2-(4-methylphenyl)sulfanylacetamide;hydrochloride
CID 119657249
N-(1-aminopropan-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylacetamide;hydrochloride
CID 119584496
N-(3-amino-4-methylpentyl)-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide
CID 81484328
2-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]sulfanylacetamide
CID 119660546
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 30317011
N-(3-amino-4-methylpentyl)-N-methylpropanamide
CID 81484424
N-[(2,4-dimethylphenyl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylacetamide
CID 33045526
N-[2-(3-chlorophenoxy)ethyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylacetamide
CID 55439817
2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-methylamino]-2-methylpropanoic acid
CID 119200702
2-[butan-2-yl-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]acetic acid
CID 119955305
N-(3-amino-4-methylpentyl)-N-methyl-2-(6-methyl-3-pyridinyl)acetamide;dihydrochloride
CID 119660207
ethyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate;hydrochloride
CID 45125947

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylacetamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylacetamide (CID 119660589) is N-(3-amino-4-methylpentyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylacetamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylacetamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylacetamide is Cc1cc(C)nc(SCC(=O)N(C)CCC(N)C(C)C)n1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylacetamide?
The InChIKey is NWTJHILNQIPUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-10(2)13(16)6-7-19(5)14(20)9-21-15-17-11(3)8-12(4)18-15/h8,10,13H,6-7,9,16H2,1-5H3.
What are the key properties of N-(3-amino-4-methylpentyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylacetamide?
N-(3-amino-4-methylpentyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylacetamide has a molecular weight of 310.47 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylacetamide is sourced from PubChem (CID 119660589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).