5-[6-(ethylamino)-3-pyridinyl]-4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine

C19H21N5O2S — CID 70671765

IUPAC5-[6-(ethylamino)-3-pyridinyl]-4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine
SMILESCCNc1ccc(-c2c(C)nc(N)nc2-c2ccc(S(C)(=O)=O)cc2)cn1
InChIInChI=1S/C19H21N5O2S/c1-4-21-16-10-7-14(11-22-16)17-12(2)23-19(20)24-18(17)13-5-8-15(9-6-13)27(3,25)26/h5-11H,4H2,1-3H3,(H,21,22)(H2,20,23,24)
InChIKeyPZLKOSYHZOVISR-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.93
Rot. Bonds5

About 5-[6-(ethylamino)-3-pyridinyl]-4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine

5-[6-(ethylamino)-3-pyridinyl]-4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine (PubChem CID 70671765) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is 5-[6-(ethylamino)-3-pyridinyl]-4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-[6-(ethylamino)-3-pyridinyl]-4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine
PubChem CID70671765
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC Name5-[6-(ethylamino)-3-pyridinyl]-4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine
SMILESCCNc1ccc(-c2c(C)nc(N)nc2-c2ccc(S(C)(=O)=O)cc2)cn1
InChIInChI=1S/C19H21N5O2S/c1-4-21-16-10-7-14(11-22-16)17-12(2)23-19(20)24-18(17)13-5-8-15(9-6-13)27(3,25)26/h5-11H,4H2,1-3H3,(H,21,22)(H2,20,23,24)
InChIKeyPZLKOSYHZOVISR-UHFFFAOYSA-N
XLogP2.93
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[6-(ethylamino)-3-pyridinyl]-4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-2-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 5-[6-(ethylamino)-3-pyridinyl]-4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine?
The IUPAC name of 5-[6-(ethylamino)-3-pyridinyl]-4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine (CID 70671765) is 5-[6-(ethylamino)-3-pyridinyl]-4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 5-[6-(ethylamino)-3-pyridinyl]-4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine?
The canonical SMILES for 5-[6-(ethylamino)-3-pyridinyl]-4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine is CCNc1ccc(-c2c(C)nc(N)nc2-c2ccc(S(C)(=O)=O)cc2)cn1.
What is the InChIKey of 5-[6-(ethylamino)-3-pyridinyl]-4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine?
The InChIKey is PZLKOSYHZOVISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-4-21-16-10-7-14(11-22-16)17-12(2)23-19(20)24-18(17)13-5-8-15(9-6-13)27(3,25)26/h5-11H,4H2,1-3H3,(H,21,22)(H2,20,23,24).
What are the key properties of 5-[6-(ethylamino)-3-pyridinyl]-4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine?
5-[6-(ethylamino)-3-pyridinyl]-4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine has a molecular weight of 383.48 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(ethylamino)-3-pyridinyl]-4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 70671765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).