6-tert-butyl-2-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine

C17H23N3O — CID 62190921

IUPAC6-tert-butyl-2-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine
SMILESCNc1cc(C(C)(C)C)nc(Cc2ccc(OC)cc2)n1
InChIInChI=1S/C17H23N3O/c1-17(2,3)14-11-15(18-4)20-16(19-14)10-12-6-8-13(21-5)9-7-12/h6-9,11H,10H2,1-5H3,(H,18,19,20)
InChIKeyTWDITOWWLCFLNW-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.42
Rot. Bonds4

About 6-tert-butyl-2-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine

6-tert-butyl-2-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine (PubChem CID 62190921) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 6-tert-butyl-2-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-2-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine
PubChem CID62190921
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name6-tert-butyl-2-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine
SMILESCNc1cc(C(C)(C)C)nc(Cc2ccc(OC)cc2)n1
InChIInChI=1S/C17H23N3O/c1-17(2,3)14-11-15(18-4)20-16(19-14)10-12-6-8-13(21-5)9-7-12/h6-9,11H,10H2,1-5H3,(H,18,19,20)
InChIKeyTWDITOWWLCFLNW-UHFFFAOYSA-N
XLogP3.42
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromophenyl)methyl]-6-tert-butyl-N-methylpyrimidin-4-amine
CID 63485945
6-(methoxymethyl)-2-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine
CID 62321169
6-tert-butyl-N-ethyl-2-[(4-methylphenyl)methyl]pyrimidin-4-amine
CID 63487149
[2-[(4-bromophenyl)methyl]-6-tert-butylpyrimidin-4-yl]hydrazine
CID 62252179
2-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine
CID 62190614
6-tert-butyl-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 55045244
3,6-ditert-butyl-2-[(4-methoxyphenyl)methyl]pyridine
CID 71819350
6-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine
CID 62319868
6-tert-butyl-N-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine
CID 103476186
6-tert-butyl-2-(2-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 62192683
2-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80933993
6-tert-butyl-2-(4-methoxy-3-methylphenyl)-N-methylpyrimidin-4-amine
CID 62203294

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-2-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine (CID 62190921) is 6-tert-butyl-2-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-2-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-2-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine is CNc1cc(C(C)(C)C)nc(Cc2ccc(OC)cc2)n1.
What is the InChIKey of 6-tert-butyl-2-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine?
The InChIKey is TWDITOWWLCFLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-17(2,3)14-11-15(18-4)20-16(19-14)10-12-6-8-13(21-5)9-7-12/h6-9,11H,10H2,1-5H3,(H,18,19,20).
What are the key properties of 6-tert-butyl-2-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine?
6-tert-butyl-2-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 62190921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).