2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-methylpropyl)-4-methylsulfanylbutanamide

C15H26N4OS — CID 71701133

IUPAC2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-methylpropyl)-4-methylsulfanylbutanamide
SMILESCSCCC(Nc1nc(C)cc(C)n1)C(=O)NCC(C)C
InChIInChI=1S/C15H26N4OS/c1-10(2)9-16-14(20)13(6-7-21-5)19-15-17-11(3)8-12(4)18-15/h8,10,13H,6-7,9H2,1-5H3,(H,16,20)(H,17,18,19)
InChIKeyLCMKYNYUHZXJQD-UHFFFAOYSA-N
MW310.47 g/mol
LogP2.40
Rot. Bonds8

About 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-methylpropyl)-4-methylsulfanylbutanamide

2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-methylpropyl)-4-methylsulfanylbutanamide (PubChem CID 71701133) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-methylpropyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-methylpropyl)-4-methylsulfanylbutanamide
PubChem CID71701133
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-methylpropyl)-4-methylsulfanylbutanamide
SMILESCSCCC(Nc1nc(C)cc(C)n1)C(=O)NCC(C)C
InChIInChI=1S/C15H26N4OS/c1-10(2)9-16-14(20)13(6-7-21-5)19-15-17-11(3)8-12(4)18-15/h8,10,13H,6-7,9H2,1-5H3,(H,16,20)(H,17,18,19)
InChIKeyLCMKYNYUHZXJQD-UHFFFAOYSA-N
XLogP2.40
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-methylpropyl)-4-methylsulfanylbutanamide?
The IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-methylpropyl)-4-methylsulfanylbutanamide (CID 71701133) is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-methylpropyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-methylpropyl)-4-methylsulfanylbutanamide?
The canonical SMILES for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-methylpropyl)-4-methylsulfanylbutanamide is CSCCC(Nc1nc(C)cc(C)n1)C(=O)NCC(C)C.
What is the InChIKey of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-methylpropyl)-4-methylsulfanylbutanamide?
The InChIKey is LCMKYNYUHZXJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-10(2)9-16-14(20)13(6-7-21-5)19-15-17-11(3)8-12(4)18-15/h8,10,13H,6-7,9H2,1-5H3,(H,16,20)(H,17,18,19).
What are the key properties of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-methylpropyl)-4-methylsulfanylbutanamide?
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-methylpropyl)-4-methylsulfanylbutanamide has a molecular weight of 310.47 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-methylpropyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 71701133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).