methyl 4-methyl-2-[methyl(methylsulfonyl)amino]-6-phenylpyrimidine-5-carboxylate

C15H17N3O4S — CID 11151816

IUPACmethyl 4-methyl-2-[methyl(methylsulfonyl)amino]-6-phenylpyrimidine-5-carboxylate
SMILESCOC(=O)c1c(C)nc(N(C)S(C)(=O)=O)nc1-c1ccccc1
InChIInChI=1S/C15H17N3O4S/c1-10-12(14(19)22-3)13(11-8-6-5-7-9-11)17-15(16-10)18(2)23(4,20)21/h5-9H,1-4H3
InChIKeyVNJAKXZDMUPMHI-UHFFFAOYSA-N
MW335.39 g/mol
LogP1.63
Rot. Bonds4

About methyl 4-methyl-2-[methyl(methylsulfonyl)amino]-6-phenylpyrimidine-5-carboxylate

methyl 4-methyl-2-[methyl(methylsulfonyl)amino]-6-phenylpyrimidine-5-carboxylate (PubChem CID 11151816) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is methyl 4-methyl-2-[methyl(methylsulfonyl)amino]-6-phenylpyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[methyl(methylsulfonyl)amino]-6-phenylpyrimidine-5-carboxylate
PubChem CID11151816
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Namemethyl 4-methyl-2-[methyl(methylsulfonyl)amino]-6-phenylpyrimidine-5-carboxylate
SMILESCOC(=O)c1c(C)nc(N(C)S(C)(=O)=O)nc1-c1ccccc1
InChIInChI=1S/C15H17N3O4S/c1-10-12(14(19)22-3)13(11-8-6-5-7-9-11)17-15(16-10)18(2)23(4,20)21/h5-9H,1-4H3
InChIKeyVNJAKXZDMUPMHI-UHFFFAOYSA-N
XLogP1.63
TPSA89.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-methyl-6-phenylpyrimidine-5-carboxylate
CID 135045136
methyl 1-methyl-3-phenylisoquinoline-4-carboxylate
CID 138972318
ethyl 2-(diethylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 134844115
ethyl 2-(dipyridin-2-ylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 122401115
methyl 1,3-dimethyl-5-phenylpyrazole-4-carboxylate
CID 22831861
methyl 4,6-diphenyl-2-(trichloromethyl)pyrimidine-5-carboxylate
CID 134914814
methyl 3-[(dimethylamino)methyl]-2-phenylquinoline-4-carboxylate
CID 10781962
methyl 2-[[(2S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 11223865
ethyl 2-hydrazinyl-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 71660499
dimethyl 1-phenylisoquinoline-3,4-dicarboxylate
CID 11858745
ethyl 2-ethyl-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 139241104
CID 154709525
CID 154709525

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[methyl(methylsulfonyl)amino]-6-phenylpyrimidine-5-carboxylate?
The IUPAC name of methyl 4-methyl-2-[methyl(methylsulfonyl)amino]-6-phenylpyrimidine-5-carboxylate (CID 11151816) is methyl 4-methyl-2-[methyl(methylsulfonyl)amino]-6-phenylpyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-[methyl(methylsulfonyl)amino]-6-phenylpyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-methyl-2-[methyl(methylsulfonyl)amino]-6-phenylpyrimidine-5-carboxylate is COC(=O)c1c(C)nc(N(C)S(C)(=O)=O)nc1-c1ccccc1.
What is the InChIKey of methyl 4-methyl-2-[methyl(methylsulfonyl)amino]-6-phenylpyrimidine-5-carboxylate?
The InChIKey is VNJAKXZDMUPMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-10-12(14(19)22-3)13(11-8-6-5-7-9-11)17-15(16-10)18(2)23(4,20)21/h5-9H,1-4H3.
What are the key properties of methyl 4-methyl-2-[methyl(methylsulfonyl)amino]-6-phenylpyrimidine-5-carboxylate?
methyl 4-methyl-2-[methyl(methylsulfonyl)amino]-6-phenylpyrimidine-5-carboxylate has a molecular weight of 335.39 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[methyl(methylsulfonyl)amino]-6-phenylpyrimidine-5-carboxylate is sourced from PubChem (CID 11151816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).