[2-propan-2-yl-5-(2-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine

C17H23N3O — CID 62322377

IUPAC[2-propan-2-yl-5-(2-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine
SMILESCC(C)c1ncc(Oc2ccccc2C(C)C)c(CN)n1
InChIInChI=1S/C17H23N3O/c1-11(2)13-7-5-6-8-15(13)21-16-10-19-17(12(3)4)20-14(16)9-18/h5-8,10-12H,9,18H2,1-4H3
InChIKeyMVZLVLKPRQPJGY-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.97
Rot. Bonds5

About [2-propan-2-yl-5-(2-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine

[2-propan-2-yl-5-(2-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine (PubChem CID 62322377) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is [2-propan-2-yl-5-(2-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-propan-2-yl-5-(2-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine
PubChem CID62322377
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name[2-propan-2-yl-5-(2-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine
SMILESCC(C)c1ncc(Oc2ccccc2C(C)C)c(CN)n1
InChIInChI=1S/C17H23N3O/c1-11(2)13-7-5-6-8-15(13)21-16-10-19-17(12(3)4)20-14(16)9-18/h5-8,10-12H,9,18H2,1-4H3
InChIKeyMVZLVLKPRQPJGY-UHFFFAOYSA-N
XLogP3.97
TPSA61.03 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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2-chloro-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62295801
[2-propan-2-yl-5-(3-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine
CID 62296045
[5-(3-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62297328
4-(chloromethyl)-5-(2-ethoxyphenoxy)-2-propan-2-ylpyrimidine
CID 62088524
[5-(2-chloro-4-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62672573
[5-(4-methylsulfanylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 63648235
N-methyl-1-[5-(2-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62297509
[5-[(5-chloro-3-pyridinyl)oxy]-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 64600452
[5-[(2-bromophenyl)methoxy]-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 82831312
[2-(2-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine
CID 107542464
[5-(2-methylsulfanylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 63648556
[2-propan-2-yl-5-(thiophen-2-ylmethoxy)pyrimidin-4-yl]methanamine
CID 62321741

Frequently Asked Questions

What is the IUPAC name of [2-propan-2-yl-5-(2-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine?
The IUPAC name of [2-propan-2-yl-5-(2-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine (CID 62322377) is [2-propan-2-yl-5-(2-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-propan-2-yl-5-(2-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine?
The canonical SMILES for [2-propan-2-yl-5-(2-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine is CC(C)c1ncc(Oc2ccccc2C(C)C)c(CN)n1.
What is the InChIKey of [2-propan-2-yl-5-(2-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine?
The InChIKey is MVZLVLKPRQPJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-11(2)13-7-5-6-8-15(13)21-16-10-19-17(12(3)4)20-14(16)9-18/h5-8,10-12H,9,18H2,1-4H3.
What are the key properties of [2-propan-2-yl-5-(2-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine?
[2-propan-2-yl-5-(2-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine has a molecular weight of 285.39 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-propan-2-yl-5-(2-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 62322377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).