6-(5-tert-butyl-2-methoxyphenyl)pyrimidin-4-amine

C15H19N3O — CID 82300014

IUPAC6-(5-tert-butyl-2-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1ccc(C(C)(C)C)cc1-c1cc(N)ncn1
InChIInChI=1S/C15H19N3O/c1-15(2,3)10-5-6-13(19-4)11(7-10)12-8-14(16)18-9-17-12/h5-9H,1-4H3,(H2,16,17,18)
InChIKeyFJDLVAMOQTYPMI-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.03
Rot. Bonds2

About 6-(5-tert-butyl-2-methoxyphenyl)pyrimidin-4-amine

6-(5-tert-butyl-2-methoxyphenyl)pyrimidin-4-amine (PubChem CID 82300014) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 6-(5-tert-butyl-2-methoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-tert-butyl-2-methoxyphenyl)pyrimidin-4-amine
PubChem CID82300014
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name6-(5-tert-butyl-2-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1ccc(C(C)(C)C)cc1-c1cc(N)ncn1
InChIInChI=1S/C15H19N3O/c1-15(2,3)10-5-6-13(19-4)11(7-10)12-8-14(16)18-9-17-12/h5-9H,1-4H3,(H2,16,17,18)
InChIKeyFJDLVAMOQTYPMI-UHFFFAOYSA-N
XLogP3.03
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-tert-butyl-2-methoxyphenyl)-1,2,5-oxadiazol-3-amine
CID 82118685
2-(5-tert-butyl-2-methoxyphenyl)-5-fluoropyridine
CID 90122592
4-(5-tert-butyl-2-methoxyphenyl)aniline
CID 83655480
6-(2,5-dichloro-4-methoxyphenyl)pyrimidin-4-amine
CID 95473457
4-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 82365983
4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridin-2-amine
CID 66652889
6-[2-methoxy-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]pyrimidin-4-amine
CID 165425270
6-(4-tert-butylphenyl)-3-methoxypyridin-2-amine
CID 82556285
4-[4-(5-tert-butyl-2-methoxyphenyl)phenyl]-1H-pyrazolo[4,3-c]pyridin-3-amine
CID 173164263
6-[2-methoxy-5-[1-(3-methoxypropyl)imidazol-2-yl]phenyl]pyrimidin-4-amine
CID 165428045
amino-(5-tert-butyl-2-methoxyphenyl)methanethiol
CID 116939444
2-[3-(5-tert-butyl-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 96669762

Frequently Asked Questions

What is the IUPAC name of 6-(5-tert-butyl-2-methoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 6-(5-tert-butyl-2-methoxyphenyl)pyrimidin-4-amine (CID 82300014) is 6-(5-tert-butyl-2-methoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(5-tert-butyl-2-methoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-(5-tert-butyl-2-methoxyphenyl)pyrimidin-4-amine is COc1ccc(C(C)(C)C)cc1-c1cc(N)ncn1.
What is the InChIKey of 6-(5-tert-butyl-2-methoxyphenyl)pyrimidin-4-amine?
The InChIKey is FJDLVAMOQTYPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-15(2,3)10-5-6-13(19-4)11(7-10)12-8-14(16)18-9-17-12/h5-9H,1-4H3,(H2,16,17,18).
What are the key properties of 6-(5-tert-butyl-2-methoxyphenyl)pyrimidin-4-amine?
6-(5-tert-butyl-2-methoxyphenyl)pyrimidin-4-amine has a molecular weight of 257.34 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-tert-butyl-2-methoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 82300014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).