[5-(3-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine

C15H19N3O — CID 62297328

IUPAC[5-(3-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
SMILESCc1cccc(Oc2cnc(C(C)C)nc2CN)c1
InChIInChI=1S/C15H19N3O/c1-10(2)15-17-9-14(13(8-16)18-15)19-12-6-4-5-11(3)7-12/h4-7,9-10H,8,16H2,1-3H3
InChIKeyFFRYBYDPULMAKB-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.16
Rot. Bonds4

About [5-(3-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine

[5-(3-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine (PubChem CID 62297328) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is [5-(3-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[5-(3-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
PubChem CID62297328
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name[5-(3-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
SMILESCc1cccc(Oc2cnc(C(C)C)nc2CN)c1
InChIInChI=1S/C15H19N3O/c1-10(2)15-17-9-14(13(8-16)18-15)19-12-6-4-5-11(3)7-12/h4-7,9-10H,8,16H2,1-3H3
InChIKeyFFRYBYDPULMAKB-UHFFFAOYSA-N
XLogP3.16
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 55032605
[2-propan-2-yl-5-(3-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine
CID 62296045
[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-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62086715
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
[2-propan-2-yl-5-(thiophen-2-ylmethoxy)pyrimidin-4-yl]methanamine
CID 62321741
[5-[(2-bromophenyl)methoxy]-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 82831312
3-[4-(aminomethyl)-2-propan-2-ylpyrimidin-5-yl]oxy-N,N-dimethylpropan-1-amine
CID 62298226
1-[5-(4-chloro-3-fluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine
CID 82718693
[4-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]oxyphenyl]methanol
CID 62088149

Frequently Asked Questions

What is the IUPAC name of [5-(3-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine?
The IUPAC name of [5-(3-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine (CID 62297328) is [5-(3-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine.
What is the SMILES notation for [5-(3-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine?
The canonical SMILES for [5-(3-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine is Cc1cccc(Oc2cnc(C(C)C)nc2CN)c1.
What is the InChIKey of [5-(3-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine?
The InChIKey is FFRYBYDPULMAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10(2)15-17-9-14(13(8-16)18-15)19-12-6-4-5-11(3)7-12/h4-7,9-10H,8,16H2,1-3H3.
What are the key properties of [5-(3-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine?
[5-(3-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine has a molecular weight of 257.34 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine is sourced from PubChem (CID 62297328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).