N-[5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide

C19H20N4O3S — CID 68915223

IUPACN-[5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide
SMILESCOc1ccccc1-c1cc(Nc2ccc(C)c(NS(C)(=O)=O)c2)ncn1
InChIInChI=1S/C19H20N4O3S/c1-13-8-9-14(10-16(13)23-27(3,24)25)22-19-11-17(20-12-21-19)15-6-4-5-7-18(15)26-2/h4-12,23H,1-3H3,(H,20,21,22)
InChIKeyYUTLWCQIOXIPAP-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.58
Rot. Bonds6

About N-[5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide

N-[5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide (PubChem CID 68915223) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide
PubChem CID68915223
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-[5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide
SMILESCOc1ccccc1-c1cc(Nc2ccc(C)c(NS(C)(=O)=O)c2)ncn1
InChIInChI=1S/C19H20N4O3S/c1-13-8-9-14(10-16(13)23-27(3,24)25)22-19-11-17(20-12-21-19)15-6-4-5-7-18(15)26-2/h4-12,23H,1-3H3,(H,20,21,22)
InChIKeyYUTLWCQIOXIPAP-UHFFFAOYSA-N
XLogP3.58
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide?
The IUPAC name of N-[5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide (CID 68915223) is N-[5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide.
What is the SMILES notation for N-[5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide?
The canonical SMILES for N-[5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide is COc1ccccc1-c1cc(Nc2ccc(C)c(NS(C)(=O)=O)c2)ncn1.
What is the InChIKey of N-[5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide?
The InChIKey is YUTLWCQIOXIPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-13-8-9-14(10-16(13)23-27(3,24)25)22-19-11-17(20-12-21-19)15-6-4-5-7-18(15)26-2/h4-12,23H,1-3H3,(H,20,21,22).
What are the key properties of N-[5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide?
N-[5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide has a molecular weight of 384.46 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide is sourced from PubChem (CID 68915223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).