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

C14H17N3O — CID 107542464

IUPAC[2-(2-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine
SMILESCC(C)c1ccccc1Oc1nccc(CN)n1
InChIInChI=1S/C14H17N3O/c1-10(2)12-5-3-4-6-13(12)18-14-16-8-7-11(9-15)17-14/h3-8,10H,9,15H2,1-2H3
InChIKeyVKJXXXQUZRUHQP-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.85
Rot. Bonds4

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

[2-(2-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine (PubChem CID 107542464) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is [2-(2-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(2-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine
PubChem CID107542464
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name[2-(2-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine
SMILESCC(C)c1ccccc1Oc1nccc(CN)n1
InChIInChI=1S/C14H17N3O/c1-10(2)12-5-3-4-6-13(12)18-14-16-8-7-11(9-15)17-14/h3-8,10H,9,15H2,1-2H3
InChIKeyVKJXXXQUZRUHQP-UHFFFAOYSA-N
XLogP2.85
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine
CID 107542628
[2-(2-propan-2-ylphenoxy)-4-pyridinyl]methanamine
CID 16795671
(2-quinolin-8-yloxypyrimidin-4-yl)methanamine
CID 107542518
[2-propan-2-yl-5-(2-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine
CID 62322377
[6-(2-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 16781989
[5-(2-propan-2-ylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine
CID 80621327
2-(2-propan-2-ylphenoxy)-1,3-thiazol-5-amine
CID 102769306
3-bromo-4-methyl-2-(2-propan-2-ylphenoxy)pyridine
CID 106877787
2-(chloromethyl)-6-(2-propan-2-ylphenoxy)pyridine
CID 62240218
[3-fluoro-2-(2-propan-2-ylphenoxy)-4-pyridinyl]methanol
CID 105383273
2-[6-(2-propan-2-ylphenoxy)-3-pyridinyl]ethanamine
CID 80640158
[2-(2-propan-2-ylphenoxy)-3-pyridinyl]methanol
CID 61255036

Frequently Asked Questions

What is the IUPAC name of [2-(2-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine?
The IUPAC name of [2-(2-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine (CID 107542464) is [2-(2-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-(2-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine?
The canonical SMILES for [2-(2-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine is CC(C)c1ccccc1Oc1nccc(CN)n1.
What is the InChIKey of [2-(2-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine?
The InChIKey is VKJXXXQUZRUHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10(2)12-5-3-4-6-13(12)18-14-16-8-7-11(9-15)17-14/h3-8,10H,9,15H2,1-2H3.
What are the key properties of [2-(2-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine?
[2-(2-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine has a molecular weight of 243.31 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 107542464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).