N-[[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]methyl]methanesulfonamide

C18H18N4O2S — CID 67251720

IUPACN-[[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1ccc(Nc2cc(-c3ccccc3)ncn2)cc1
InChIInChI=1S/C18H18N4O2S/c1-25(23,24)21-12-14-7-9-16(10-8-14)22-18-11-17(19-13-20-18)15-5-3-2-4-6-15/h2-11,13,21H,12H2,1H3,(H,19,20,22)
InChIKeyLURCHQRSKVPHPN-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.94
Rot. Bonds6

About N-[[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]methyl]methanesulfonamide

N-[[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]methyl]methanesulfonamide (PubChem CID 67251720) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-[[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]methyl]methanesulfonamide
PubChem CID67251720
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-[[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1ccc(Nc2cc(-c3ccccc3)ncn2)cc1
InChIInChI=1S/C18H18N4O2S/c1-25(23,24)21-12-14-7-9-16(10-8-14)22-18-11-17(19-13-20-18)15-5-3-2-4-6-15/h2-11,13,21H,12H2,1H3,(H,19,20,22)
InChIKeyLURCHQRSKVPHPN-UHFFFAOYSA-N
XLogP2.94
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-[(6-phenylpyrimidin-4-yl)amino]phenyl]methyl]methanesulfonamide
CID 67252155
N-[2-methyl-5-[[6-(4-phenylphenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 25138217
N-[2-fluoro-5-[(6-phenylpyrimidin-4-yl)amino]phenyl]methanesulfonamide
CID 25138206
1-N-(6-methylpyrimidin-4-yl)-4-N-(6-phenylpyrimidin-4-yl)benzene-1,4-diamine
CID 108773977
N-(4-bromophenyl)-6-phenylpyrimidin-4-amine
CID 16876814
4-[(6-phenylpyrimidin-4-yl)amino]benzoic acid
CID 1408950
4-[(6-phenylpyrimidin-4-yl)amino]benzoic acid;hydrochloride
CID 16876551
N-(4-phenoxyphenyl)-6-phenylpyrimidin-4-amine
CID 117089637
N-[[3-[[6-(2-propan-2-yloxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]methanesulfonamide
CID 67259665
N-[5-[[6-[4-(hydroxymethyl)phenyl]pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide
CID 68915471
N-(6-methyl-3-pyridinyl)-6-phenylpyrimidin-4-amine
CID 58119047
N-[4-(morpholin-4-ylmethyl)phenyl]-6-phenylpyrimidin-4-amine
CID 108773217

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]methyl]methanesulfonamide (CID 67251720) is N-[[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]methyl]methanesulfonamide is CS(=O)(=O)NCc1ccc(Nc2cc(-c3ccccc3)ncn2)cc1.
What is the InChIKey of N-[[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]methyl]methanesulfonamide?
The InChIKey is LURCHQRSKVPHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-25(23,24)21-12-14-7-9-16(10-8-14)22-18-11-17(19-13-20-18)15-5-3-2-4-6-15/h2-11,13,21H,12H2,1H3,(H,19,20,22).
What are the key properties of N-[[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]methyl]methanesulfonamide?
N-[[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]methyl]methanesulfonamide has a molecular weight of 354.44 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 67251720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).