2-methyl-6-(2-methylpropoxy)-N-(2-phenylethyl)pyrimidin-4-amine

C17H23N3O — CID 82454168

IUPAC2-methyl-6-(2-methylpropoxy)-N-(2-phenylethyl)pyrimidin-4-amine
SMILESCc1nc(NCCc2ccccc2)cc(OCC(C)C)n1
InChIInChI=1S/C17H23N3O/c1-13(2)12-21-17-11-16(19-14(3)20-17)18-10-9-15-7-5-4-6-8-15/h4-8,11,13H,9-10,12H2,1-3H3,(H,18,19,20)
InChIKeyCRELFNKHOTVMLM-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.47
Rot. Bonds7

About 2-methyl-6-(2-methylpropoxy)-N-(2-phenylethyl)pyrimidin-4-amine

2-methyl-6-(2-methylpropoxy)-N-(2-phenylethyl)pyrimidin-4-amine (PubChem CID 82454168) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-methyl-6-(2-methylpropoxy)-N-(2-phenylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-(2-methylpropoxy)-N-(2-phenylethyl)pyrimidin-4-amine
PubChem CID82454168
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-methyl-6-(2-methylpropoxy)-N-(2-phenylethyl)pyrimidin-4-amine
SMILESCc1nc(NCCc2ccccc2)cc(OCC(C)C)n1
InChIInChI=1S/C17H23N3O/c1-13(2)12-21-17-11-16(19-14(3)20-17)18-10-9-15-7-5-4-6-8-15/h4-8,11,13H,9-10,12H2,1-3H3,(H,18,19,20)
InChIKeyCRELFNKHOTVMLM-UHFFFAOYSA-N
XLogP3.47
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethoxy-2-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 66326268
2-methyl-N-[(4-methylphenyl)methyl]-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82454179
6-ethoxy-2-methyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine
CID 66325892
6-ethyl-2-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 65418225
2-methyl-4-N-(4-methylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112873723
4-N-benzyl-6-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112871519
6-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872053
2-methyl-6-(1-phenylethoxy)-N-propylpyrimidin-4-amine
CID 80859945
6-N-[2-(4-chlorophenyl)ethyl]-2-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112874922
4-N-(2-methoxyethyl)-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112869509
2-methyl-N-(2-phenylethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112873704
6-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112874289

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-methylpropoxy)-N-(2-phenylethyl)pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-(2-methylpropoxy)-N-(2-phenylethyl)pyrimidin-4-amine (CID 82454168) is 2-methyl-6-(2-methylpropoxy)-N-(2-phenylethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-(2-methylpropoxy)-N-(2-phenylethyl)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-(2-methylpropoxy)-N-(2-phenylethyl)pyrimidin-4-amine is Cc1nc(NCCc2ccccc2)cc(OCC(C)C)n1.
What is the InChIKey of 2-methyl-6-(2-methylpropoxy)-N-(2-phenylethyl)pyrimidin-4-amine?
The InChIKey is CRELFNKHOTVMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13(2)12-21-17-11-16(19-14(3)20-17)18-10-9-15-7-5-4-6-8-15/h4-8,11,13H,9-10,12H2,1-3H3,(H,18,19,20).
What are the key properties of 2-methyl-6-(2-methylpropoxy)-N-(2-phenylethyl)pyrimidin-4-amine?
2-methyl-6-(2-methylpropoxy)-N-(2-phenylethyl)pyrimidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methylpropoxy)-N-(2-phenylethyl)pyrimidin-4-amine is sourced from PubChem (CID 82454168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).