N-(3,5-dimethylphenyl)-4-(2-pyrimidin-5-ylimidazol-1-yl)pyrimidin-2-amine

C19H17N7 — CID 5329439

IUPACN-(3,5-dimethylphenyl)-4-(2-pyrimidin-5-ylimidazol-1-yl)pyrimidin-2-amine
SMILESCc1cc(C)cc(Nc2nccc(-n3ccnc3-c3cncnc3)n2)c1
InChIInChI=1S/C19H17N7/c1-13-7-14(2)9-16(8-13)24-19-23-4-3-17(25-19)26-6-5-22-18(26)15-10-20-12-21-11-15/h3-12H,1-2H3,(H,23,24,25)
InChIKeyJFROSSFDGZJGNE-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.48
Rot. Bonds4

About N-(3,5-dimethylphenyl)-4-(2-pyrimidin-5-ylimidazol-1-yl)pyrimidin-2-amine

N-(3,5-dimethylphenyl)-4-(2-pyrimidin-5-ylimidazol-1-yl)pyrimidin-2-amine (PubChem CID 5329439) has the molecular formula C19H17N7 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-(2-pyrimidin-5-ylimidazol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-(2-pyrimidin-5-ylimidazol-1-yl)pyrimidin-2-amine
PubChem CID5329439
Molecular FormulaC19H17N7
Molecular Weight343.39 g/mol
Exact Mass343.15
IUPAC NameN-(3,5-dimethylphenyl)-4-(2-pyrimidin-5-ylimidazol-1-yl)pyrimidin-2-amine
SMILESCc1cc(C)cc(Nc2nccc(-n3ccnc3-c3cncnc3)n2)c1
InChIInChI=1S/C19H17N7/c1-13-7-14(2)9-16(8-13)24-19-23-4-3-17(25-19)26-6-5-22-18(26)15-10-20-12-21-11-15/h3-12H,1-2H3,(H,23,24,25)
InChIKeyJFROSSFDGZJGNE-UHFFFAOYSA-N
XLogP3.48
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-(2-pyrimidin-5-ylimidazol-1-yl)pyrimidin-2-amine?
The IUPAC name of N-(3,5-dimethylphenyl)-4-(2-pyrimidin-5-ylimidazol-1-yl)pyrimidin-2-amine (CID 5329439) is N-(3,5-dimethylphenyl)-4-(2-pyrimidin-5-ylimidazol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-(2-pyrimidin-5-ylimidazol-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-(2-pyrimidin-5-ylimidazol-1-yl)pyrimidin-2-amine is Cc1cc(C)cc(Nc2nccc(-n3ccnc3-c3cncnc3)n2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-(2-pyrimidin-5-ylimidazol-1-yl)pyrimidin-2-amine?
The InChIKey is JFROSSFDGZJGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7/c1-13-7-14(2)9-16(8-13)24-19-23-4-3-17(25-19)26-6-5-22-18(26)15-10-20-12-21-11-15/h3-12H,1-2H3,(H,23,24,25).
What are the key properties of N-(3,5-dimethylphenyl)-4-(2-pyrimidin-5-ylimidazol-1-yl)pyrimidin-2-amine?
N-(3,5-dimethylphenyl)-4-(2-pyrimidin-5-ylimidazol-1-yl)pyrimidin-2-amine has a molecular weight of 343.39 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-(2-pyrimidin-5-ylimidazol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 5329439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).