6-(4-butan-2-ylphenyl)-N-methylpyrimidin-4-amine

C15H19N3 — CID 82477552

IUPAC6-(4-butan-2-ylphenyl)-N-methylpyrimidin-4-amine
SMILESCCC(C)c1ccc(-c2cc(NC)ncn2)cc1
InChIInChI=1S/C15H19N3/c1-4-11(2)12-5-7-13(8-6-12)14-9-15(16-3)18-10-17-14/h5-11H,4H2,1-3H3,(H,16,17,18)
InChIKeyDDWRLYWBPQGKID-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.70
Rot. Bonds4

About 6-(4-butan-2-ylphenyl)-N-methylpyrimidin-4-amine

6-(4-butan-2-ylphenyl)-N-methylpyrimidin-4-amine (PubChem CID 82477552) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 6-(4-butan-2-ylphenyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-butan-2-ylphenyl)-N-methylpyrimidin-4-amine
PubChem CID82477552
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name6-(4-butan-2-ylphenyl)-N-methylpyrimidin-4-amine
SMILESCCC(C)c1ccc(-c2cc(NC)ncn2)cc1
InChIInChI=1S/C15H19N3/c1-4-11(2)12-5-7-13(8-6-12)14-9-15(16-3)18-10-17-14/h5-11H,4H2,1-3H3,(H,16,17,18)
InChIKeyDDWRLYWBPQGKID-UHFFFAOYSA-N
XLogP3.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(4-butan-2-ylphenyl)-N-methylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-(2-methoxyethoxy)phenyl]-N-methylpyrimidin-4-amine
CID 98016972
N-[(2R)-butan-2-yl]-6-phenylpyrimidin-4-amine
CID 1235439
6-(4-cyclopropyloxyphenyl)-N-methylpyrimidin-4-amine
CID 114520318
4-butan-2-yl-N-methylaniline
CID 22675641
6-[6-(dimethylamino)-3-pyridinyl]-N-methylpyrimidin-4-amine
CID 114273206
6-(4-butan-2-ylphenyl)-2-(methylamino)pyridine-3-carbonitrile
CID 82122656
2,4,6-tris(4-butan-2-ylphenyl)-1,3,5-triazine
CID 58250690
3-(4-butan-2-ylphenyl)-1,2-oxazol-5-amine
CID 5100398
2,4,6-tris[4-(4-butan-2-ylphenyl)phenyl]-1,3,5-triazine
CID 58250718
3-(4-butan-2-ylphenyl)-N-methylbutan-1-amine
CID 112507884
1-(4-butan-2-ylphenyl)-N'-methylmethanediamine
CID 116939281
N-methyl-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine
CID 122281848

Frequently Asked Questions

What is the IUPAC name of 6-(4-butan-2-ylphenyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(4-butan-2-ylphenyl)-N-methylpyrimidin-4-amine (CID 82477552) is 6-(4-butan-2-ylphenyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-butan-2-ylphenyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(4-butan-2-ylphenyl)-N-methylpyrimidin-4-amine is CCC(C)c1ccc(-c2cc(NC)ncn2)cc1.
What is the InChIKey of 6-(4-butan-2-ylphenyl)-N-methylpyrimidin-4-amine?
The InChIKey is DDWRLYWBPQGKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-4-11(2)12-5-7-13(8-6-12)14-9-15(16-3)18-10-17-14/h5-11H,4H2,1-3H3,(H,16,17,18).
What are the key properties of 6-(4-butan-2-ylphenyl)-N-methylpyrimidin-4-amine?
6-(4-butan-2-ylphenyl)-N-methylpyrimidin-4-amine has a molecular weight of 241.34 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-butan-2-ylphenyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 82477552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).