N-[5-[2-amino-4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-5-yl]-2-pyridinyl]acetamide

C19H19N5O3S — CID 70671660

IUPACN-[5-[2-amino-4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-5-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2c(C)nc(N)nc2-c2ccc(S(C)(=O)=O)cc2)cn1
InChIInChI=1S/C19H19N5O3S/c1-11-17(14-6-9-16(21-10-14)23-12(2)25)18(24-19(20)22-11)13-4-7-15(8-5-13)28(3,26)27/h4-10H,1-3H3,(H2,20,22,24)(H,21,23,25)
InChIKeyVZAVACYFVIHTJV-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.46
Rot. Bonds4

About N-[5-[2-amino-4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-5-yl]-2-pyridinyl]acetamide

N-[5-[2-amino-4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-5-yl]-2-pyridinyl]acetamide (PubChem CID 70671660) has the molecular formula C19H19N5O3S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-[5-[2-amino-4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-5-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[2-amino-4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-5-yl]-2-pyridinyl]acetamide
PubChem CID70671660
Molecular FormulaC19H19N5O3S
Molecular Weight397.46 g/mol
Exact Mass397.12
IUPAC NameN-[5-[2-amino-4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-5-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2c(C)nc(N)nc2-c2ccc(S(C)(=O)=O)cc2)cn1
InChIInChI=1S/C19H19N5O3S/c1-11-17(14-6-9-16(21-10-14)23-12(2)25)18(24-19(20)22-11)13-4-7-15(8-5-13)28(3,26)27/h4-10H,1-3H3,(H2,20,22,24)(H,21,23,25)
InChIKeyVZAVACYFVIHTJV-UHFFFAOYSA-N
XLogP2.46
TPSA127.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-amino-4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-5-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[2-amino-4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-5-yl]-2-pyridinyl]acetamide (CID 70671660) is N-[5-[2-amino-4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-5-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[2-amino-4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-5-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[2-amino-4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-5-yl]-2-pyridinyl]acetamide is CC(=O)Nc1ccc(-c2c(C)nc(N)nc2-c2ccc(S(C)(=O)=O)cc2)cn1.
What is the InChIKey of N-[5-[2-amino-4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-5-yl]-2-pyridinyl]acetamide?
The InChIKey is VZAVACYFVIHTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S/c1-11-17(14-6-9-16(21-10-14)23-12(2)25)18(24-19(20)22-11)13-4-7-15(8-5-13)28(3,26)27/h4-10H,1-3H3,(H2,20,22,24)(H,21,23,25).
What are the key properties of N-[5-[2-amino-4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-5-yl]-2-pyridinyl]acetamide?
N-[5-[2-amino-4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-5-yl]-2-pyridinyl]acetamide has a molecular weight of 397.46 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-amino-4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-5-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 70671660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).