N-methyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-amine

C16H27N3OS — CID 80843630

IUPACN-methyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-amine
SMILESCNc1cc(OC2CC(C)CCC2C(C)C)nc(SC)n1
InChIInChI=1S/C16H27N3OS/c1-10(2)12-7-6-11(3)8-13(12)20-15-9-14(17-4)18-16(19-15)21-5/h9-13H,6-8H2,1-5H3,(H,17,18,19)
InChIKeyUXBKEJNVOVHMCN-UHFFFAOYSA-N
MW309.48 g/mol
LogP4.08
Rot. Bonds5

About N-methyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-amine

N-methyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-amine (PubChem CID 80843630) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is N-methyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-amine
PubChem CID80843630
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC NameN-methyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-amine
SMILESCNc1cc(OC2CC(C)CCC2C(C)C)nc(SC)n1
InChIInChI=1S/C16H27N3OS/c1-10(2)12-7-6-11(3)8-13(12)20-15-9-14(17-4)18-16(19-15)21-5/h9-13H,6-8H2,1-5H3,(H,17,18,19)
InChIKeyUXBKEJNVOVHMCN-UHFFFAOYSA-N
XLogP4.08
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-methyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidin-4-amine
CID 80859465
4-chloro-2-ethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine
CID 80944444
4-chloro-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-propylpyrimidine
CID 80939756
6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine-2,3-diamine
CID 79827219
N-ethyl-6-(3-methylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-amine
CID 80860868
6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 102723684
6-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine-4-carbothioamide
CID 107548365
2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyfuran
CID 71368513
4-N-(3-methoxycyclopentyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 114118397
6-[2-[di(propan-2-yl)amino]ethoxy]-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 115505931
(1S,2R,4R)-4-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-propan-2-ylcyclohexane
CID 142760387
(5-methyl-2-propan-2-ylcyclohexyl)oxyphosphinite
CID 101185774

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-methyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-amine (CID 80843630) is N-methyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-amine is CNc1cc(OC2CC(C)CCC2C(C)C)nc(SC)n1.
What is the InChIKey of N-methyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is UXBKEJNVOVHMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-10(2)12-7-6-11(3)8-13(12)20-15-9-14(17-4)18-16(19-15)21-5/h9-13H,6-8H2,1-5H3,(H,17,18,19).
What are the key properties of N-methyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-amine?
N-methyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 309.48 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80843630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).