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

C18H30N4O2S — CID 71703249

IUPACN-(2,2-dimethyloxan-4-yl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanylbutanamide
SMILESCSCCC(Nc1nc(C)cc(C)n1)C(=O)NC1CCOC(C)(C)C1
InChIInChI=1S/C18H30N4O2S/c1-12-10-13(2)20-17(19-12)22-15(7-9-25-5)16(23)21-14-6-8-24-18(3,4)11-14/h10,14-15H,6-9,11H2,1-5H3,(H,21,23)(H,19,20,22)
InChIKeyLJVMIKFTEPHSPB-UHFFFAOYSA-N
MW366.53 g/mol
LogP2.70
Rot. Bonds7

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

N-(2,2-dimethyloxan-4-yl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanylbutanamide (PubChem CID 71703249) has the molecular formula C18H30N4O2S and a molecular weight of 366.53 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanylbutanamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanylbutanamide
PubChem CID71703249
Molecular FormulaC18H30N4O2S
Molecular Weight366.53 g/mol
Exact Mass366.21
IUPAC NameN-(2,2-dimethyloxan-4-yl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanylbutanamide
SMILESCSCCC(Nc1nc(C)cc(C)n1)C(=O)NC1CCOC(C)(C)C1
InChIInChI=1S/C18H30N4O2S/c1-12-10-13(2)20-17(19-12)22-15(7-9-25-5)16(23)21-14-6-8-24-18(3,4)11-14/h10,14-15H,6-9,11H2,1-5H3,(H,21,23)(H,19,20,22)
InChIKeyLJVMIKFTEPHSPB-UHFFFAOYSA-N
XLogP2.70
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2,2-dimethyloxan-4-yl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanylbutanamide?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanylbutanamide (CID 71703249) is N-(2,2-dimethyloxan-4-yl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanylbutanamide.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanylbutanamide?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanylbutanamide is CSCCC(Nc1nc(C)cc(C)n1)C(=O)NC1CCOC(C)(C)C1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanylbutanamide?
The InChIKey is LJVMIKFTEPHSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2S/c1-12-10-13(2)20-17(19-12)22-15(7-9-25-5)16(23)21-14-6-8-24-18(3,4)11-14/h10,14-15H,6-9,11H2,1-5H3,(H,21,23)(H,19,20,22).
What are the key properties of N-(2,2-dimethyloxan-4-yl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanylbutanamide?
N-(2,2-dimethyloxan-4-yl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanylbutanamide has a molecular weight of 366.53 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanylbutanamide is sourced from PubChem (CID 71703249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).