[2-propan-2-yl-5-(3-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine

C17H23N3O — CID 62296045

IUPAC[2-propan-2-yl-5-(3-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine
SMILESCC(C)c1cccc(Oc2cnc(C(C)C)nc2CN)c1
InChIInChI=1S/C17H23N3O/c1-11(2)13-6-5-7-14(8-13)21-16-10-19-17(12(3)4)20-15(16)9-18/h5-8,10-12H,9,18H2,1-4H3
InChIKeyYAIIRGCWUCMTRX-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.97
Rot. Bonds5

About [2-propan-2-yl-5-(3-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine

[2-propan-2-yl-5-(3-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine (PubChem CID 62296045) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is [2-propan-2-yl-5-(3-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-propan-2-yl-5-(3-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine
PubChem CID62296045
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name[2-propan-2-yl-5-(3-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine
SMILESCC(C)c1cccc(Oc2cnc(C(C)C)nc2CN)c1
InChIInChI=1S/C17H23N3O/c1-11(2)13-6-5-7-14(8-13)21-16-10-19-17(12(3)4)20-15(16)9-18/h5-8,10-12H,9,18H2,1-4H3
InChIKeyYAIIRGCWUCMTRX-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-(3-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62297328
[5-[(5-chloro-3-pyridinyl)oxy]-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 64600452
[2-propan-2-yl-5-(2-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine
CID 62322377
[5-(3-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 55032605
[5-(3-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62086715
[6-methyl-4-(3-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 81251268
[4-(3-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 81250345
4-(chloromethyl)-5-[3-(methoxymethyl)phenoxy]-2-propan-2-ylpyrimidine
CID 63986857
[5-(2-chloro-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62295801
[3-(3-propan-2-ylphenoxy)phenyl]methanamine
CID 63943480
[5-chloro-2-(3-propan-2-ylphenoxy)phenyl]methanamine
CID 63456890
[5-[(2-bromophenyl)methoxy]-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 82831312

Frequently Asked Questions

What is the IUPAC name of [2-propan-2-yl-5-(3-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine?
The IUPAC name of [2-propan-2-yl-5-(3-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine (CID 62296045) is [2-propan-2-yl-5-(3-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-propan-2-yl-5-(3-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine?
The canonical SMILES for [2-propan-2-yl-5-(3-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine is CC(C)c1cccc(Oc2cnc(C(C)C)nc2CN)c1.
What is the InChIKey of [2-propan-2-yl-5-(3-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine?
The InChIKey is YAIIRGCWUCMTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-11(2)13-6-5-7-14(8-13)21-16-10-19-17(12(3)4)20-15(16)9-18/h5-8,10-12H,9,18H2,1-4H3.
What are the key properties of [2-propan-2-yl-5-(3-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine?
[2-propan-2-yl-5-(3-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-(3-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 62296045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).