6-(1-methoxybutan-2-yloxy)-2,5-dimethyl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine

C20H29N3O2 — CID 139568782

IUPAC6-(1-methoxybutan-2-yloxy)-2,5-dimethyl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
SMILESCCC(COC)Oc1nc(C)nc(Nc2c(C)cc(C)cc2C)c1C
InChIInChI=1S/C20H29N3O2/c1-8-17(11-24-7)25-20-15(5)19(21-16(6)22-20)23-18-13(3)9-12(2)10-14(18)4/h9-10,17H,8,11H2,1-7H3,(H,21,22,23)
InChIKeyYIMOSWFLBJLHCJ-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.57
Rot. Bonds7

About 6-(1-methoxybutan-2-yloxy)-2,5-dimethyl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine

6-(1-methoxybutan-2-yloxy)-2,5-dimethyl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine (PubChem CID 139568782) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 6-(1-methoxybutan-2-yloxy)-2,5-dimethyl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1-methoxybutan-2-yloxy)-2,5-dimethyl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
PubChem CID139568782
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name6-(1-methoxybutan-2-yloxy)-2,5-dimethyl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
SMILESCCC(COC)Oc1nc(C)nc(Nc2c(C)cc(C)cc2C)c1C
InChIInChI=1S/C20H29N3O2/c1-8-17(11-24-7)25-20-15(5)19(21-16(6)22-20)23-18-13(3)9-12(2)10-14(18)4/h9-10,17H,8,11H2,1-7H3,(H,21,22,23)
InChIKeyYIMOSWFLBJLHCJ-UHFFFAOYSA-N
XLogP4.57
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(1-methoxybutan-2-yloxy)-2,5-dimethyl-N-(2,4,6-trimethylphenyl)pyrimidin-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

6-methyl-2-pentan-3-yloxy-4-N-(2,4,6-trimethylphenyl)pyridine-3,4-diamine
CID 22291304
3-(aminomethyl)-6-methyl-2-pentan-3-yloxy-N-(2,4,6-trimethylphenyl)pyridin-4-amine
CID 142655771
[2-methyl-4-pentan-3-yloxy-6-[2,4,6-tris(methylamino)anilino]pyrimidin-5-yl]methanol
CID 174456052
1-(1,3-dimethoxypropan-2-yl)-5-methyl-3-(2,4,6-trimethylanilino)pyrazin-2-one
CID 22004330
5-chloro-1-(1,3-dimethoxypropan-2-yl)-3-(2,4,6-trimethylanilino)pyrazin-2-one
CID 15485774
6-(3,5-dimethylphenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80870359
4-(1-ethoxypropoxy)-2,5-dimethyl-6-(2,4,6-trimethylphenoxy)pyrimidine
CID 23216567
3-hexan-3-yl-5-methyl-N-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine
CID 12051964
2,5-dimethyl-4-pentan-3-yloxypyrimidine
CID 11535739
6-(3,5-dimethylphenoxy)-N,2,5-trimethylpyrimidin-4-amine
CID 80864394
3-heptan-3-yl-5-methyl-N-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine
CID 12051965
N-methyl-2-(2,3,5-trimethylphenoxy)butan-1-amine
CID 62484244

Frequently Asked Questions

What is the IUPAC name of 6-(1-methoxybutan-2-yloxy)-2,5-dimethyl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-(1-methoxybutan-2-yloxy)-2,5-dimethyl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine (CID 139568782) is 6-(1-methoxybutan-2-yloxy)-2,5-dimethyl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(1-methoxybutan-2-yloxy)-2,5-dimethyl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-(1-methoxybutan-2-yloxy)-2,5-dimethyl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine is CCC(COC)Oc1nc(C)nc(Nc2c(C)cc(C)cc2C)c1C.
What is the InChIKey of 6-(1-methoxybutan-2-yloxy)-2,5-dimethyl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine?
The InChIKey is YIMOSWFLBJLHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-8-17(11-24-7)25-20-15(5)19(21-16(6)22-20)23-18-13(3)9-12(2)10-14(18)4/h9-10,17H,8,11H2,1-7H3,(H,21,22,23).
What are the key properties of 6-(1-methoxybutan-2-yloxy)-2,5-dimethyl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine?
6-(1-methoxybutan-2-yloxy)-2,5-dimethyl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine has a molecular weight of 343.47 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methoxybutan-2-yloxy)-2,5-dimethyl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 139568782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).