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

C16H26N4OS — CID 71703934

IUPACN-cyclopentyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanylbutanamide
SMILESCSCCC(Nc1nc(C)cc(C)n1)C(=O)NC1CCCC1
InChIInChI=1S/C16H26N4OS/c1-11-10-12(2)18-16(17-11)20-14(8-9-22-3)15(21)19-13-6-4-5-7-13/h10,13-14H,4-9H2,1-3H3,(H,19,21)(H,17,18,20)
InChIKeyOMINDQNHOPHPMU-UHFFFAOYSA-N
MW322.48 g/mol
LogP2.69
Rot. Bonds7

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

N-cyclopentyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanylbutanamide (PubChem CID 71703934) has the molecular formula C16H26N4OS and a molecular weight of 322.48 g/mol. Its IUPAC name is N-cyclopentyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanylbutanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanylbutanamide
PubChem CID71703934
Molecular FormulaC16H26N4OS
Molecular Weight322.48 g/mol
Exact Mass322.18
IUPAC NameN-cyclopentyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanylbutanamide
SMILESCSCCC(Nc1nc(C)cc(C)n1)C(=O)NC1CCCC1
InChIInChI=1S/C16H26N4OS/c1-11-10-12(2)18-16(17-11)20-14(8-9-22-3)15(21)19-13-6-4-5-7-13/h10,13-14H,4-9H2,1-3H3,(H,19,21)(H,17,18,20)
InChIKeyOMINDQNHOPHPMU-UHFFFAOYSA-N
XLogP2.69
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanylbutanamide?
The IUPAC name of N-cyclopentyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanylbutanamide (CID 71703934) is N-cyclopentyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanylbutanamide.
What is the SMILES notation for N-cyclopentyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanylbutanamide?
The canonical SMILES for N-cyclopentyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanylbutanamide is CSCCC(Nc1nc(C)cc(C)n1)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanylbutanamide?
The InChIKey is OMINDQNHOPHPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4OS/c1-11-10-12(2)18-16(17-11)20-14(8-9-22-3)15(21)19-13-6-4-5-7-13/h10,13-14H,4-9H2,1-3H3,(H,19,21)(H,17,18,20).
What are the key properties of N-cyclopentyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanylbutanamide?
N-cyclopentyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanylbutanamide has a molecular weight of 322.48 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanylbutanamide is sourced from PubChem (CID 71703934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).