N-(4-ethoxyphenyl)-4-(4-methylsulfonylphenyl)pyrimidin-2-amine

C19H19N3O3S — CID 59588271

IUPACN-(4-ethoxyphenyl)-4-(4-methylsulfonylphenyl)pyrimidin-2-amine
SMILESCCOc1ccc(Nc2nccc(-c3ccc(S(C)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C19H19N3O3S/c1-3-25-16-8-6-15(7-9-16)21-19-20-13-12-18(22-19)14-4-10-17(11-5-14)26(2,23)24/h4-13H,3H2,1-2H3,(H,20,21,22)
InChIKeyCMFTWQMFAYZWPD-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.69
Rot. Bonds6

About N-(4-ethoxyphenyl)-4-(4-methylsulfonylphenyl)pyrimidin-2-amine

N-(4-ethoxyphenyl)-4-(4-methylsulfonylphenyl)pyrimidin-2-amine (PubChem CID 59588271) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-(4-methylsulfonylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-(4-methylsulfonylphenyl)pyrimidin-2-amine
PubChem CID59588271
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-(4-ethoxyphenyl)-4-(4-methylsulfonylphenyl)pyrimidin-2-amine
SMILESCCOc1ccc(Nc2nccc(-c3ccc(S(C)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C19H19N3O3S/c1-3-25-16-8-6-15(7-9-16)21-19-20-13-12-18(22-19)14-4-10-17(11-5-14)26(2,23)24/h4-13H,3H2,1-2H3,(H,20,21,22)
InChIKeyCMFTWQMFAYZWPD-UHFFFAOYSA-N
XLogP3.69
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-(4-methylsulfonylphenyl)pyrimidin-2-amine?
The IUPAC name of N-(4-ethoxyphenyl)-4-(4-methylsulfonylphenyl)pyrimidin-2-amine (CID 59588271) is N-(4-ethoxyphenyl)-4-(4-methylsulfonylphenyl)pyrimidin-2-amine.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-(4-methylsulfonylphenyl)pyrimidin-2-amine?
The canonical SMILES for N-(4-ethoxyphenyl)-4-(4-methylsulfonylphenyl)pyrimidin-2-amine is CCOc1ccc(Nc2nccc(-c3ccc(S(C)(=O)=O)cc3)n2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-(4-methylsulfonylphenyl)pyrimidin-2-amine?
The InChIKey is CMFTWQMFAYZWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-3-25-16-8-6-15(7-9-16)21-19-20-13-12-18(22-19)14-4-10-17(11-5-14)26(2,23)24/h4-13H,3H2,1-2H3,(H,20,21,22).
What are the key properties of N-(4-ethoxyphenyl)-4-(4-methylsulfonylphenyl)pyrimidin-2-amine?
N-(4-ethoxyphenyl)-4-(4-methylsulfonylphenyl)pyrimidin-2-amine has a molecular weight of 369.45 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-(4-methylsulfonylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 59588271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).