4-(3-ethyl-2-methylimidazol-4-yl)-N-(4-methylsulfonylphenyl)pyrimidin-2-amine

C17H19N5O2S — CID 44589041

IUPAC4-(3-ethyl-2-methylimidazol-4-yl)-N-(4-methylsulfonylphenyl)pyrimidin-2-amine
SMILESCCn1c(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)cnc1C
InChIInChI=1S/C17H19N5O2S/c1-4-22-12(2)19-11-16(22)15-9-10-18-17(21-15)20-13-5-7-14(8-6-13)25(3,23)24/h5-11H,4H2,1-3H3,(H,18,20,21)
InChIKeyPVCKGYNFGXACAQ-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.82
Rot. Bonds5

About 4-(3-ethyl-2-methylimidazol-4-yl)-N-(4-methylsulfonylphenyl)pyrimidin-2-amine

4-(3-ethyl-2-methylimidazol-4-yl)-N-(4-methylsulfonylphenyl)pyrimidin-2-amine (PubChem CID 44589041) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 4-(3-ethyl-2-methylimidazol-4-yl)-N-(4-methylsulfonylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-ethyl-2-methylimidazol-4-yl)-N-(4-methylsulfonylphenyl)pyrimidin-2-amine
PubChem CID44589041
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name4-(3-ethyl-2-methylimidazol-4-yl)-N-(4-methylsulfonylphenyl)pyrimidin-2-amine
SMILESCCn1c(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)cnc1C
InChIInChI=1S/C17H19N5O2S/c1-4-22-12(2)19-11-16(22)15-9-10-18-17(21-15)20-13-5-7-14(8-6-13)25(3,23)24/h5-11H,4H2,1-3H3,(H,18,20,21)
InChIKeyPVCKGYNFGXACAQ-UHFFFAOYSA-N
XLogP2.82
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-2-methylimidazol-4-yl)-N-(4-methylsulfonylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(3-ethyl-2-methylimidazol-4-yl)-N-(4-methylsulfonylphenyl)pyrimidin-2-amine (CID 44589041) is 4-(3-ethyl-2-methylimidazol-4-yl)-N-(4-methylsulfonylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-ethyl-2-methylimidazol-4-yl)-N-(4-methylsulfonylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-ethyl-2-methylimidazol-4-yl)-N-(4-methylsulfonylphenyl)pyrimidin-2-amine is CCn1c(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)cnc1C.
What is the InChIKey of 4-(3-ethyl-2-methylimidazol-4-yl)-N-(4-methylsulfonylphenyl)pyrimidin-2-amine?
The InChIKey is PVCKGYNFGXACAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-4-22-12(2)19-11-16(22)15-9-10-18-17(21-15)20-13-5-7-14(8-6-13)25(3,23)24/h5-11H,4H2,1-3H3,(H,18,20,21).
What are the key properties of 4-(3-ethyl-2-methylimidazol-4-yl)-N-(4-methylsulfonylphenyl)pyrimidin-2-amine?
4-(3-ethyl-2-methylimidazol-4-yl)-N-(4-methylsulfonylphenyl)pyrimidin-2-amine has a molecular weight of 357.44 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-2-methylimidazol-4-yl)-N-(4-methylsulfonylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 44589041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).