N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-phenylpyrimidine-5-carboxamide

C15H18N4O3S — CID 56871291

IUPACN-[2-[methyl(methylsulfonyl)amino]ethyl]-2-phenylpyrimidine-5-carboxamide
SMILESCN(CCNC(=O)c1cnc(-c2ccccc2)nc1)S(C)(=O)=O
InChIInChI=1S/C15H18N4O3S/c1-19(23(2,21)22)9-8-16-15(20)13-10-17-14(18-11-13)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,16,20)
InChIKeyQOZICXIGXRBCTJ-UHFFFAOYSA-N
MW334.40 g/mol
LogP0.76
Rot. Bonds6

About N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-phenylpyrimidine-5-carboxamide

N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-phenylpyrimidine-5-carboxamide (PubChem CID 56871291) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-[methyl(methylsulfonyl)amino]ethyl]-2-phenylpyrimidine-5-carboxamide
PubChem CID56871291
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC NameN-[2-[methyl(methylsulfonyl)amino]ethyl]-2-phenylpyrimidine-5-carboxamide
SMILESCN(CCNC(=O)c1cnc(-c2ccccc2)nc1)S(C)(=O)=O
InChIInChI=1S/C15H18N4O3S/c1-19(23(2,21)22)9-8-16-15(20)13-10-17-14(18-11-13)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,16,20)
InChIKeyQOZICXIGXRBCTJ-UHFFFAOYSA-N
XLogP0.76
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-4-[(2,2-dimethylpropyl)amino]-N-(2-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}ethyl)pyrimidine-5-carboxamide
CID 16108893
2-cyano-4-(cyclohexylamino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 16108900
(7s)-7-Amino-N-[(4-Fluorophenyl)methyl]-8-Oxo-2,9,16,18,21-Pentaazabicyclo[15.3.1]henicosa-1(21),17,19-Triene-20-Carboxamide
CID 74538669
N-[[4-[[(2,4-difluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyrimidine-5-carboxamide
CID 130431457
2-(2-Aminoethylamino)-4-(m-tolylamino)pyrimidine-5-carboxamide
CID 9817349
2-(2-Aminoethylamino)-4-(p-tolylamino)pyrimidine-5-carboxamide
CID 12017518
2-Phenyl-pyrimidine-5-carboxylic acid benzylamide
CID 16043211
N-(2-Amino-pyrimidin-5-ylmethyl)-2-(6-methyl-2-oxo-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-acetamide
CID 23551902
6-oxo-N-(2-phenylpropan-2-yl)-2-pyrimidin-2-yl-1H-pyrimidine-5-carboxamide
CID 44230946
4-(Cyclopropylamino)-2-[4-(4-methylsulfonylpiperazin-1-yl)anilino]pyrimidine-5-carboxamide
CID 44594940
N-hydroxy-2-[[(1R)-1-phenylethyl]amino]pyrimidine-5-carboxamide
CID 57381422
2-(2-Aminoethylamino)-4-(o-tolylamino)pyrimidine-5-carboxamide
CID 15458391

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-phenylpyrimidine-5-carboxamide (CID 56871291) is N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-phenylpyrimidine-5-carboxamide is CN(CCNC(=O)c1cnc(-c2ccccc2)nc1)S(C)(=O)=O.
What is the InChIKey of N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-phenylpyrimidine-5-carboxamide?
The InChIKey is QOZICXIGXRBCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-19(23(2,21)22)9-8-16-15(20)13-10-17-14(18-11-13)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,16,20).
What are the key properties of N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-phenylpyrimidine-5-carboxamide?
N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-phenylpyrimidine-5-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 56871291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).