5-methyl-4-(3-propan-2-ylphenoxy)-N-propylpyrimidin-2-amine

C17H23N3O — CID 80865695

IUPAC5-methyl-4-(3-propan-2-ylphenoxy)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(C)c(Oc2cccc(C(C)C)c2)n1
InChIInChI=1S/C17H23N3O/c1-5-9-18-17-19-11-13(4)16(20-17)21-15-8-6-7-14(10-15)12(2)3/h6-8,10-12H,5,9H2,1-4H3,(H,18,19,20)
InChIKeyRHSUDLYBZVEYGL-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.52
Rot. Bonds6

About 5-methyl-4-(3-propan-2-ylphenoxy)-N-propylpyrimidin-2-amine

5-methyl-4-(3-propan-2-ylphenoxy)-N-propylpyrimidin-2-amine (PubChem CID 80865695) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-methyl-4-(3-propan-2-ylphenoxy)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-4-(3-propan-2-ylphenoxy)-N-propylpyrimidin-2-amine
PubChem CID80865695
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name5-methyl-4-(3-propan-2-ylphenoxy)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(C)c(Oc2cccc(C(C)C)c2)n1
InChIInChI=1S/C17H23N3O/c1-5-9-18-17-19-11-13(4)16(20-17)21-15-8-6-7-14(10-15)12(2)3/h6-8,10-12H,5,9H2,1-4H3,(H,18,19,20)
InChIKeyRHSUDLYBZVEYGL-UHFFFAOYSA-N
XLogP4.52
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,5-dimethyl-4-(3-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80864328
4-[3-(dimethylamino)phenoxy]-5-methyl-N-propylpyrimidin-2-amine
CID 80879562
4-(3,4-difluorophenoxy)-5-methyl-N-propylpyrimidin-2-amine
CID 80875789
5-methyl-6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine
CID 80866037
4-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-2-amine
CID 80875373
4-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-2-amine
CID 80874250
4-(5-fluoro-2-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine
CID 102989227
5-bromo-4-(3-chlorophenoxy)-N-propylpyrimidin-2-amine
CID 80869526
5-chloro-4-(3-iodophenoxy)-N-propylpyrimidin-2-amine
CID 80881200
N-ethyl-4-[3-(methoxymethyl)phenoxy]-5-methylpyrimidin-2-amine
CID 80876421
6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine
CID 80863993
4-(1-ethylpyrazol-4-yl)oxy-5-methyl-N-propylpyrimidin-2-amine
CID 116806089

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(3-propan-2-ylphenoxy)-N-propylpyrimidin-2-amine?
The IUPAC name of 5-methyl-4-(3-propan-2-ylphenoxy)-N-propylpyrimidin-2-amine (CID 80865695) is 5-methyl-4-(3-propan-2-ylphenoxy)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-methyl-4-(3-propan-2-ylphenoxy)-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-methyl-4-(3-propan-2-ylphenoxy)-N-propylpyrimidin-2-amine is CCCNc1ncc(C)c(Oc2cccc(C(C)C)c2)n1.
What is the InChIKey of 5-methyl-4-(3-propan-2-ylphenoxy)-N-propylpyrimidin-2-amine?
The InChIKey is RHSUDLYBZVEYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-5-9-18-17-19-11-13(4)16(20-17)21-15-8-6-7-14(10-15)12(2)3/h6-8,10-12H,5,9H2,1-4H3,(H,18,19,20).
What are the key properties of 5-methyl-4-(3-propan-2-ylphenoxy)-N-propylpyrimidin-2-amine?
5-methyl-4-(3-propan-2-ylphenoxy)-N-propylpyrimidin-2-amine has a molecular weight of 285.39 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(3-propan-2-ylphenoxy)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80865695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).