N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-1-(3-methylphenyl)methanesulfonamide

C16H23N5O2S — CID 122319799

IUPACN-[2,4-bis(dimethylamino)pyrimidin-5-yl]-1-(3-methylphenyl)methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)Nc2cnc(N(C)C)nc2N(C)C)c1
InChIInChI=1S/C16H23N5O2S/c1-12-7-6-8-13(9-12)11-24(22,23)19-14-10-17-16(21(4)5)18-15(14)20(2)3/h6-10,19H,11H2,1-5H3
InChIKeyAFCFNEVBVPIXNS-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.86
Rot. Bonds6

About N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-1-(3-methylphenyl)methanesulfonamide

N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-1-(3-methylphenyl)methanesulfonamide (PubChem CID 122319799) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-1-(3-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2,4-bis(dimethylamino)pyrimidin-5-yl]-1-(3-methylphenyl)methanesulfonamide
PubChem CID122319799
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC NameN-[2,4-bis(dimethylamino)pyrimidin-5-yl]-1-(3-methylphenyl)methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)Nc2cnc(N(C)C)nc2N(C)C)c1
InChIInChI=1S/C16H23N5O2S/c1-12-7-6-8-13(9-12)11-24(22,23)19-14-10-17-16(21(4)5)18-15(14)20(2)3/h6-10,19H,11H2,1-5H3
InChIKeyAFCFNEVBVPIXNS-UHFFFAOYSA-N
XLogP1.86
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1-(3-methylphenyl)methanesulfonamide
CID 122320320
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-1-(3-fluorophenyl)methanesulfonamide
CID 122320581
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1-(4-methylphenyl)methanesulfonamide
CID 122320340
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)methanesulfonamide
CID 122287424
N-(2,5-dimethoxy-4-methylphenyl)-1-(3-methylphenyl)methanesulfonamide
CID 110777825
N-(1,3-benzoxazol-6-yl)-1-(3-methylphenyl)methanesulfonamide
CID 110728958
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2,5-dimethylbenzamide
CID 91969285
N-(2-chloro-4-methoxyphenyl)-1-(3-methylphenyl)methanesulfonamide
CID 110777958
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-4-ethoxy-3-fluorobenzenesulfonamide
CID 122319807
1-(3-methylphenyl)-N-(3-methylsulfonylphenyl)methanesulfonamide
CID 110779468
N-(2-methyl-1,3-benzoxazol-6-yl)-1-(3-methylphenyl)methanesulfonamide
CID 110729080
ethyl N-[(3-methylphenyl)methylsulfonyl]carbamate
CID 175275781

Frequently Asked Questions

What is the IUPAC name of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-1-(3-methylphenyl)methanesulfonamide?
The IUPAC name of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-1-(3-methylphenyl)methanesulfonamide (CID 122319799) is N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-1-(3-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-1-(3-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-1-(3-methylphenyl)methanesulfonamide is Cc1cccc(CS(=O)(=O)Nc2cnc(N(C)C)nc2N(C)C)c1.
What is the InChIKey of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-1-(3-methylphenyl)methanesulfonamide?
The InChIKey is AFCFNEVBVPIXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-12-7-6-8-13(9-12)11-24(22,23)19-14-10-17-16(21(4)5)18-15(14)20(2)3/h6-10,19H,11H2,1-5H3.
What are the key properties of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-1-(3-methylphenyl)methanesulfonamide?
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-1-(3-methylphenyl)methanesulfonamide has a molecular weight of 349.46 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-1-(3-methylphenyl)methanesulfonamide is sourced from PubChem (CID 122319799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).