2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine

C16H21N3 — CID 80952496

IUPAC2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine
SMILESCc1cc(C)c(-c2cc(N)nc(C(C)C)n2)cc1C
InChIInChI=1S/C16H21N3/c1-9(2)16-18-14(8-15(17)19-16)13-7-11(4)10(3)6-12(13)5/h6-9H,1-5H3,(H2,17,18,19)
InChIKeySOMAINWYRCUDCR-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.77
Rot. Bonds2

About 2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine

2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine (PubChem CID 80952496) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine
PubChem CID80952496
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine
SMILESCc1cc(C)c(-c2cc(N)nc(C(C)C)n2)cc1C
InChIInChI=1S/C16H21N3/c1-9(2)16-18-14(8-15(17)19-16)13-7-11(4)10(3)6-12(13)5/h6-9H,1-5H3,(H2,17,18,19)
InChIKeySOMAINWYRCUDCR-UHFFFAOYSA-N
XLogP3.77
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-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

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine?
The IUPAC name of 2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine (CID 80952496) is 2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine is Cc1cc(C)c(-c2cc(N)nc(C(C)C)n2)cc1C.
What is the InChIKey of 2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine?
The InChIKey is SOMAINWYRCUDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-9(2)16-18-14(8-15(17)19-16)13-7-11(4)10(3)6-12(13)5/h6-9H,1-5H3,(H2,17,18,19).
What are the key properties of 2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine?
2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine has a molecular weight of 255.36 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 80952496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).