5-methyl-6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine

C17H23N3O — CID 80866037

IUPAC5-methyl-6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(Oc2cccc(C(C)C)c2)c1C
InChIInChI=1S/C17H23N3O/c1-5-9-18-16-13(4)17(20-11-19-16)21-15-8-6-7-14(10-15)12(2)3/h6-8,10-12H,5,9H2,1-4H3,(H,18,19,20)
InChIKeyFZHMSWOWBXCAIR-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.52
Rot. Bonds6

About 5-methyl-6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine

5-methyl-6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine (PubChem CID 80866037) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-methyl-6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine
PubChem CID80866037
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name5-methyl-6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(Oc2cccc(C(C)C)c2)c1C
InChIInChI=1S/C17H23N3O/c1-5-9-18-16-13(4)17(20-11-19-16)21-15-8-6-7-14(10-15)12(2)3/h6-8,10-12H,5,9H2,1-4H3,(H,18,19,20)
InChIKeyFZHMSWOWBXCAIR-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

5-methyl-6-(3-nitrophenoxy)-N-propylpyrimidin-4-amine
CID 80878595
6-(4-methoxyphenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80869942
6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine
CID 80863993
5-methyl-4-(3-propan-2-ylphenoxy)-N-propylpyrimidin-2-amine
CID 80865695
6-(4-bromophenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80864667
6-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80874885
6-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80875364
6-(3-bromophenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80869818
6-(3-chlorophenoxy)-5-ethyl-N-propylpyrimidin-4-amine
CID 80869356
6-methoxy-5-methyl-N-propylpyrimidin-4-amine
CID 66326211
6-butan-2-yloxy-5-methyl-N-propylpyrimidin-4-amine
CID 80866287
5-methyl-6-(4-nitrophenoxy)-N-propylpyrimidin-4-amine
CID 80879024

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine?
The IUPAC name of 5-methyl-6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine (CID 80866037) is 5-methyl-6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-methyl-6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-methyl-6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine is CCCNc1ncnc(Oc2cccc(C(C)C)c2)c1C.
What is the InChIKey of 5-methyl-6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine?
The InChIKey is FZHMSWOWBXCAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-5-9-18-16-13(4)17(20-11-19-16)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-6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine?
5-methyl-6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-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-6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80866037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).