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

C15H19N3O — CID 107542628

IUPAC[2-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine
SMILESCc1ccc(C(C)C)cc1Oc1nccc(CN)n1
InChIInChI=1S/C15H19N3O/c1-10(2)12-5-4-11(3)14(8-12)19-15-17-7-6-13(9-16)18-15/h4-8,10H,9,16H2,1-3H3
InChIKeyUNXAWUFCZKWSOK-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.16
Rot. Bonds4

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

[2-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine (PubChem CID 107542628) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is [2-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine
PubChem CID107542628
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name[2-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine
SMILESCc1ccc(C(C)C)cc1Oc1nccc(CN)n1
InChIInChI=1S/C15H19N3O/c1-10(2)12-5-4-11(3)14(8-12)19-15-17-7-6-13(9-16)18-15/h4-8,10H,9,16H2,1-3H3
InChIKeyUNXAWUFCZKWSOK-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

2-(2-methyl-5-propan-2-ylphenoxy)pyrimidine-4-carbonitrile
CID 107545835
[2-(2-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine
CID 107542464
2-chloro-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidine
CID 62338137
[6-(2-methyl-5-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 54909715
5-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80875224
5-methyl-6-(2-methyl-5-propan-2-ylphenoxy)pyridin-3-amine
CID 62476910
(1R)-1-[5-(2-methyl-5-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine
CID 103937883
[4-bromo-2-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanamine
CID 63552389
3,5-dichloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridin-2-amine
CID 102760807
3-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyridin-2-amine
CID 55076540
N-[[2-(2-methyl-5-propan-2-ylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 62323489
4-(2-methyl-5-propan-2-ylphenoxy)but-2-en-1-amine
CID 77110625

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine?
The IUPAC name of [2-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine (CID 107542628) is [2-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine?
The canonical SMILES for [2-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine is Cc1ccc(C(C)C)cc1Oc1nccc(CN)n1.
What is the InChIKey of [2-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine?
The InChIKey is UNXAWUFCZKWSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10(2)12-5-4-11(3)14(8-12)19-15-17-7-6-13(9-16)18-15/h4-8,10H,9,16H2,1-3H3.
What are the key properties of [2-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine?
[2-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-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 [2-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 107542628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).