N-methyl-6-[3-(2-methylpropyl)phenyl]-2-propan-2-ylpyrimidin-4-amine

C18H25N3 — CID 116546243

IUPACN-methyl-6-[3-(2-methylpropyl)phenyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1cc(-c2cccc(CC(C)C)c2)nc(C(C)C)n1
InChIInChI=1S/C18H25N3/c1-12(2)9-14-7-6-8-15(10-14)16-11-17(19-5)21-18(20-16)13(3)4/h6-8,10-13H,9H2,1-5H3,(H,19,20,21)
InChIKeyZQLHEWUTPVOURZ-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.51
Rot. Bonds5

About N-methyl-6-[3-(2-methylpropyl)phenyl]-2-propan-2-ylpyrimidin-4-amine

N-methyl-6-[3-(2-methylpropyl)phenyl]-2-propan-2-ylpyrimidin-4-amine (PubChem CID 116546243) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-methyl-6-[3-(2-methylpropyl)phenyl]-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-[3-(2-methylpropyl)phenyl]-2-propan-2-ylpyrimidin-4-amine
PubChem CID116546243
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-methyl-6-[3-(2-methylpropyl)phenyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1cc(-c2cccc(CC(C)C)c2)nc(C(C)C)n1
InChIInChI=1S/C18H25N3/c1-12(2)9-14-7-6-8-15(10-14)16-11-17(19-5)21-18(20-16)13(3)4/h6-8,10-13H,9H2,1-5H3,(H,19,20,21)
InChIKeyZQLHEWUTPVOURZ-UHFFFAOYSA-N
XLogP4.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-6-[3-(2-methylpropyl)phenyl]pyridin-2-amine
CID 116546191
6-(4-ethoxyphenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80952608
6-(furan-2-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80952634
2-ethyl-6-[3-(2-methylpropyl)phenyl]pyridine
CID 71277362
4-bromo-2-propan-2-yl-6-(3-propylphenyl)pyrimidine
CID 116545990
6-(3-bromophenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 115503957
6-(2-bromophenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 115503725
N-methyl-2-propan-2-yl-6-thiophen-2-ylpyrimidin-4-amine
CID 80952028
6-(3-fluoro-5-methylphenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80952716
6-isoquinolin-8-yl-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 103144239
2-chloro-4-[3-(2-methylpropyl)phenyl]pyrimidine
CID 116546024
2-(1-methoxy-2-methylpropyl)-N-methyl-6-phenylpyrimidin-4-amine
CID 116728724

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[3-(2-methylpropyl)phenyl]-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-methyl-6-[3-(2-methylpropyl)phenyl]-2-propan-2-ylpyrimidin-4-amine (CID 116546243) is N-methyl-6-[3-(2-methylpropyl)phenyl]-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-[3-(2-methylpropyl)phenyl]-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-methyl-6-[3-(2-methylpropyl)phenyl]-2-propan-2-ylpyrimidin-4-amine is CNc1cc(-c2cccc(CC(C)C)c2)nc(C(C)C)n1.
What is the InChIKey of N-methyl-6-[3-(2-methylpropyl)phenyl]-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is ZQLHEWUTPVOURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-12(2)9-14-7-6-8-15(10-14)16-11-17(19-5)21-18(20-16)13(3)4/h6-8,10-13H,9H2,1-5H3,(H,19,20,21).
What are the key properties of N-methyl-6-[3-(2-methylpropyl)phenyl]-2-propan-2-ylpyrimidin-4-amine?
N-methyl-6-[3-(2-methylpropyl)phenyl]-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 283.42 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[3-(2-methylpropyl)phenyl]-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 116546243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).