N-(3,5-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine

C14H17N3 — CID 58412715

IUPACN-(3,5-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine
SMILESCc1cc(C)cc(Nc2nc(C)ncc2C)c1
InChIInChI=1S/C14H17N3/c1-9-5-10(2)7-13(6-9)17-14-11(3)8-15-12(4)16-14/h5-8H,1-4H3,(H,15,16,17)
InChIKeyRKBVHOFDBBEISM-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.45
Rot. Bonds2

About N-(3,5-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine

N-(3,5-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine (PubChem CID 58412715) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine
PubChem CID58412715
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC NameN-(3,5-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine
SMILESCc1cc(C)cc(Nc2nc(C)ncc2C)c1
InChIInChI=1S/C14H17N3/c1-9-5-10(2)7-13(6-9)17-14-11(3)8-15-12(4)16-14/h5-8H,1-4H3,(H,15,16,17)
InChIKeyRKBVHOFDBBEISM-UHFFFAOYSA-N
XLogP3.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of N-(3,5-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine (CID 58412715) is N-(3,5-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for N-(3,5-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine is Cc1cc(C)cc(Nc2nc(C)ncc2C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine?
The InChIKey is RKBVHOFDBBEISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-9-5-10(2)7-13(6-9)17-14-11(3)8-15-12(4)16-14/h5-8H,1-4H3,(H,15,16,17).
What are the key properties of N-(3,5-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine?
N-(3,5-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine has a molecular weight of 227.31 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 58412715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).