2-methyl-N-propyl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-amine

C17H23N3O — CID 80874964

IUPAC2-methyl-N-propyl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-amine
SMILESCCCNc1cc(Oc2cc(C)cc(C)c2C)nc(C)n1
InChIInChI=1S/C17H23N3O/c1-6-7-18-16-10-17(20-14(5)19-16)21-15-9-11(2)8-12(3)13(15)4/h8-10H,6-7H2,1-5H3,(H,18,19,20)
InChIKeyVAAUQJPNUCZZIL-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.32
Rot. Bonds5

About 2-methyl-N-propyl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-amine

2-methyl-N-propyl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-amine (PubChem CID 80874964) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-methyl-N-propyl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-propyl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-amine
PubChem CID80874964
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-methyl-N-propyl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-amine
SMILESCCCNc1cc(Oc2cc(C)cc(C)c2C)nc(C)n1
InChIInChI=1S/C17H23N3O/c1-6-7-18-16-10-17(20-14(5)19-16)21-15-9-11(2)8-12(3)13(15)4/h8-10H,6-7H2,1-5H3,(H,18,19,20)
InChIKeyVAAUQJPNUCZZIL-UHFFFAOYSA-N
XLogP4.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-methyl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-yl]hydrazine
CID 80916646
2-methyl-6-(2-methylphenoxy)-N-propylpyrimidin-4-amine
CID 80869254
6-(2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80864444
6-(4-bromo-2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80881920
2-methyl-6-propoxy-N-propylpyrimidin-4-amine
CID 80866216
6-(2-bromo-4-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80881961
6-(2-bromo-4-fluorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80863475
6-(4-bromo-3-methylphenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 83145197
6-(2,3-dimethylphenoxy)-2-ethyl-N-propylpyrimidin-4-amine
CID 80938683
3-fluoro-4-[2-methyl-6-(propylamino)pyrimidin-4-yl]oxybenzonitrile
CID 107669782
N-ethyl-4-methyl-6-(2,3,5-trimethylphenoxy)pyrimidin-2-amine
CID 80881926
[4-[2-methyl-6-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80871747

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propyl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-propyl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-amine (CID 80874964) is 2-methyl-N-propyl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-propyl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-propyl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-amine is CCCNc1cc(Oc2cc(C)cc(C)c2C)nc(C)n1.
What is the InChIKey of 2-methyl-N-propyl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-amine?
The InChIKey is VAAUQJPNUCZZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-6-7-18-16-10-17(20-14(5)19-16)21-15-9-11(2)8-12(3)13(15)4/h8-10H,6-7H2,1-5H3,(H,18,19,20).
What are the key properties of 2-methyl-N-propyl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-amine?
2-methyl-N-propyl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propyl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-amine is sourced from PubChem (CID 80874964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).