[4-[6-(aminomethyl)-2-(dimethylamino)pyrimidin-4-yl]oxyphenyl]methanesulfonamide

C14H19N5O3S — CID 134598594

IUPAC[4-[6-(aminomethyl)-2-(dimethylamino)pyrimidin-4-yl]oxyphenyl]methanesulfonamide
SMILESCN(C)c1nc(CN)cc(Oc2ccc(CS(N)(=O)=O)cc2)n1
InChIInChI=1S/C14H19N5O3S/c1-19(2)14-17-11(8-15)7-13(18-14)22-12-5-3-10(4-6-12)9-23(16,20)21/h3-7H,8-9,15H2,1-2H3,(H2,16,20,21)
InChIKeyBGTQOFMPBKZYGK-UHFFFAOYSA-N
MW337.41 g/mol
LogP0.58
Rot. Bonds6

About [4-[6-(aminomethyl)-2-(dimethylamino)pyrimidin-4-yl]oxyphenyl]methanesulfonamide

[4-[6-(aminomethyl)-2-(dimethylamino)pyrimidin-4-yl]oxyphenyl]methanesulfonamide (PubChem CID 134598594) has the molecular formula C14H19N5O3S and a molecular weight of 337.41 g/mol. Its IUPAC name is [4-[6-(aminomethyl)-2-(dimethylamino)pyrimidin-4-yl]oxyphenyl]methanesulfonamide.

Molecular Properties

Compound Name[4-[6-(aminomethyl)-2-(dimethylamino)pyrimidin-4-yl]oxyphenyl]methanesulfonamide
PubChem CID134598594
Molecular FormulaC14H19N5O3S
Molecular Weight337.41 g/mol
Exact Mass337.12
IUPAC Name[4-[6-(aminomethyl)-2-(dimethylamino)pyrimidin-4-yl]oxyphenyl]methanesulfonamide
SMILESCN(C)c1nc(CN)cc(Oc2ccc(CS(N)(=O)=O)cc2)n1
InChIInChI=1S/C14H19N5O3S/c1-19(2)14-17-11(8-15)7-13(18-14)22-12-5-3-10(4-6-12)9-23(16,20)21/h3-7H,8-9,15H2,1-2H3,(H2,16,20,21)
InChIKeyBGTQOFMPBKZYGK-UHFFFAOYSA-N
XLogP0.58
TPSA124.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-((2-(Benzylamino)-6-methylpyrimidin-4-yl)oxy)benzonitrile
CID 1927680
[4-[6-[[(5-Chloropyrimidin-2-yl)amino]methyl]-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyphenyl]methanesulfonamide
CID 134586817
N-benzyl-4-methyl-6-phenoxypyrimidin-2-amine
CID 697240
4-(4-Ethylphenoxy)-6-methylpyrimidin-2-amine
CID 830665
1-(4,6-Dimethylpyrimidin-2-yl)-3-[2-(4-ethoxyphenyl)ethyl]guanidine
CID 3013234
6-[4-[3-(dimethylamino)propoxy]phenyl]-N-methyl-2-methylsulfonyl-pyrimidin-4-amine
CID 164889256
4-(4-(Benzylsulfonyl)piperazin-1-yl)-2-methyl-6-phenoxypyrimidine
CID 42474263
4-(4-(Ethylsulfonyl)piperazin-1-yl)-2-methyl-6-(p-tolyloxy)pyrimidine
CID 42474288
4-(2,4-difluorophenoxy)-2-(4-methylpiperazino)-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl ethyl sulfone
CID 46072862
1-[6-(Ethanesulfonyl)-4-(4-fluorophenoxy)-5H,6H,7H,8H-pyrido[4,3-D]pyrimidin-2-YL]-4-methylpiperidine
CID 46160229
N,N-diethyl-2-[(4-methoxyphenyl)methylsulfonyl]-6-vinyl-pyrimidin-4-amine
CID 49768109
(9S)-7-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-9-(2-fluorophenyl)-2-methyl-1,1-dioxo-5,6,8,9-tetrahydro-1,2,4,7-thiatriazonin-3-amine
CID 89037243

Frequently Asked Questions

What is the IUPAC name of [4-[6-(aminomethyl)-2-(dimethylamino)pyrimidin-4-yl]oxyphenyl]methanesulfonamide?
The IUPAC name of [4-[6-(aminomethyl)-2-(dimethylamino)pyrimidin-4-yl]oxyphenyl]methanesulfonamide (CID 134598594) is [4-[6-(aminomethyl)-2-(dimethylamino)pyrimidin-4-yl]oxyphenyl]methanesulfonamide.
What is the SMILES notation for [4-[6-(aminomethyl)-2-(dimethylamino)pyrimidin-4-yl]oxyphenyl]methanesulfonamide?
The canonical SMILES for [4-[6-(aminomethyl)-2-(dimethylamino)pyrimidin-4-yl]oxyphenyl]methanesulfonamide is CN(C)c1nc(CN)cc(Oc2ccc(CS(N)(=O)=O)cc2)n1.
What is the InChIKey of [4-[6-(aminomethyl)-2-(dimethylamino)pyrimidin-4-yl]oxyphenyl]methanesulfonamide?
The InChIKey is BGTQOFMPBKZYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3S/c1-19(2)14-17-11(8-15)7-13(18-14)22-12-5-3-10(4-6-12)9-23(16,20)21/h3-7H,8-9,15H2,1-2H3,(H2,16,20,21).
What are the key properties of [4-[6-(aminomethyl)-2-(dimethylamino)pyrimidin-4-yl]oxyphenyl]methanesulfonamide?
[4-[6-(aminomethyl)-2-(dimethylamino)pyrimidin-4-yl]oxyphenyl]methanesulfonamide has a molecular weight of 337.41 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(aminomethyl)-2-(dimethylamino)pyrimidin-4-yl]oxyphenyl]methanesulfonamide is sourced from PubChem (CID 134598594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).