4-methyl-N-(1-phenylpropan-2-yl)-6-propan-2-yloxypyrimidin-2-amine

C17H23N3O — CID 115975028

IUPAC4-methyl-N-(1-phenylpropan-2-yl)-6-propan-2-yloxypyrimidin-2-amine
SMILESCc1cc(OC(C)C)nc(NC(C)Cc2ccccc2)n1
InChIInChI=1S/C17H23N3O/c1-12(2)21-16-11-14(4)19-17(20-16)18-13(3)10-15-8-6-5-7-9-15/h5-9,11-13H,10H2,1-4H3,(H,18,19,20)
InChIKeyLWYGNAZPXXQWBH-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.62
Rot. Bonds6

About 4-methyl-N-(1-phenylpropan-2-yl)-6-propan-2-yloxypyrimidin-2-amine

4-methyl-N-(1-phenylpropan-2-yl)-6-propan-2-yloxypyrimidin-2-amine (PubChem CID 115975028) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-methyl-N-(1-phenylpropan-2-yl)-6-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-(1-phenylpropan-2-yl)-6-propan-2-yloxypyrimidin-2-amine
PubChem CID115975028
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-methyl-N-(1-phenylpropan-2-yl)-6-propan-2-yloxypyrimidin-2-amine
SMILESCc1cc(OC(C)C)nc(NC(C)Cc2ccccc2)n1
InChIInChI=1S/C17H23N3O/c1-12(2)21-16-11-14(4)19-17(20-16)18-13(3)10-15-8-6-5-7-9-15/h5-9,11-13H,10H2,1-4H3,(H,18,19,20)
InChIKeyLWYGNAZPXXQWBH-UHFFFAOYSA-N
XLogP3.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dimethyl-N-(1-phenylpropan-2-yl)pyrimidin-2-amine
CID 63011106
4,6-dimethoxy-N-(1-phenylpropan-2-yl)pyrimidin-2-amine
CID 115355116
N-(4-chlorobutan-2-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112635800
6-methyl-2-(1-phenylpropan-2-ylamino)pyrimidine-4-carboxylic acid
CID 107553898
4-methyl-N-pent-4-en-2-yl-6-propan-2-yloxypyrimidin-2-amine
CID 113466642
1-N,1-N-diethyl-2-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)propane-1,2-diamine
CID 115974900
4-methyl-N-(3-methylbutan-2-yl)-6-propan-2-yloxypyrimidin-2-amine
CID 112636615
2,6-dimethyl-N-(1-phenylpropan-2-yl)pyridin-4-amine
CID 114272175
N-[1-(2-fluorophenyl)ethyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 115974766
N-(1-chloro-3-methylbutan-2-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112635672
2-(hydroxymethyl)-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propane-1,3-diol
CID 107851350
4-methyl-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol
CID 112637072

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-phenylpropan-2-yl)-6-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of 4-methyl-N-(1-phenylpropan-2-yl)-6-propan-2-yloxypyrimidin-2-amine (CID 115975028) is 4-methyl-N-(1-phenylpropan-2-yl)-6-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-(1-phenylpropan-2-yl)-6-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-(1-phenylpropan-2-yl)-6-propan-2-yloxypyrimidin-2-amine is Cc1cc(OC(C)C)nc(NC(C)Cc2ccccc2)n1.
What is the InChIKey of 4-methyl-N-(1-phenylpropan-2-yl)-6-propan-2-yloxypyrimidin-2-amine?
The InChIKey is LWYGNAZPXXQWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12(2)21-16-11-14(4)19-17(20-16)18-13(3)10-15-8-6-5-7-9-15/h5-9,11-13H,10H2,1-4H3,(H,18,19,20).
What are the key properties of 4-methyl-N-(1-phenylpropan-2-yl)-6-propan-2-yloxypyrimidin-2-amine?
4-methyl-N-(1-phenylpropan-2-yl)-6-propan-2-yloxypyrimidin-2-amine has a molecular weight of 285.39 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-phenylpropan-2-yl)-6-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 115975028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).