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

C15H19N3O — CID 107666701

IUPAC[2-(4-butan-2-ylphenoxy)pyrimidin-5-yl]methanamine
SMILESCCC(C)c1ccc(Oc2ncc(CN)cn2)cc1
InChIInChI=1S/C15H19N3O/c1-3-11(2)13-4-6-14(7-5-13)19-15-17-9-12(8-16)10-18-15/h4-7,9-11H,3,8,16H2,1-2H3
InChIKeyUDQNDCMDYBUSAK-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.24
Rot. Bonds5

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

[2-(4-butan-2-ylphenoxy)pyrimidin-5-yl]methanamine (PubChem CID 107666701) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is [2-(4-butan-2-ylphenoxy)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(4-butan-2-ylphenoxy)pyrimidin-5-yl]methanamine
PubChem CID107666701
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name[2-(4-butan-2-ylphenoxy)pyrimidin-5-yl]methanamine
SMILESCCC(C)c1ccc(Oc2ncc(CN)cn2)cc1
InChIInChI=1S/C15H19N3O/c1-3-11(2)13-4-6-14(7-5-13)19-15-17-9-12(8-16)10-18-15/h4-7,9-11H,3,8,16H2,1-2H3
InChIKeyUDQNDCMDYBUSAK-UHFFFAOYSA-N
XLogP3.24
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-butan-2-ylphenoxy)phenyl]methanamine
CID 107663619
[3-(4-butan-2-ylphenoxy)pyrazin-2-yl]methanamine
CID 107663628
[5-bromo-2-(4-butan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 107668185
1-[4-(4-butan-2-ylphenoxy)phenyl]propan-2-amine
CID 107668862
5-(bromomethyl)-2-(4-butan-2-ylphenoxy)-3-methylpyridine
CID 107666158
[5-(4-butan-2-ylphenoxy)pyrazin-2-yl]methanol
CID 107667536
3-(4-butan-2-ylphenoxy)pyridine
CID 143794326
[3-(4-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 107663591
[4-(4-butan-2-ylphenoxy)-2-methylphenyl]methanamine
CID 107663596
[2-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-5-yl]methanamine
CID 116802334
4-(4-butan-2-ylphenoxy)-6-methoxypyrimidin-5-amine
CID 107663693
[3-bromo-4-[(4-butan-2-ylphenoxy)methyl]phenyl]methanamine
CID 107668350

Frequently Asked Questions

What is the IUPAC name of [2-(4-butan-2-ylphenoxy)pyrimidin-5-yl]methanamine?
The IUPAC name of [2-(4-butan-2-ylphenoxy)pyrimidin-5-yl]methanamine (CID 107666701) is [2-(4-butan-2-ylphenoxy)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-(4-butan-2-ylphenoxy)pyrimidin-5-yl]methanamine?
The canonical SMILES for [2-(4-butan-2-ylphenoxy)pyrimidin-5-yl]methanamine is CCC(C)c1ccc(Oc2ncc(CN)cn2)cc1.
What is the InChIKey of [2-(4-butan-2-ylphenoxy)pyrimidin-5-yl]methanamine?
The InChIKey is UDQNDCMDYBUSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-11(2)13-4-6-14(7-5-13)19-15-17-9-12(8-16)10-18-15/h4-7,9-11H,3,8,16H2,1-2H3.
What are the key properties of [2-(4-butan-2-ylphenoxy)pyrimidin-5-yl]methanamine?
[2-(4-butan-2-ylphenoxy)pyrimidin-5-yl]methanamine has a molecular weight of 257.34 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-butan-2-ylphenoxy)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 107666701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).