N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine

C17H20ClN3O3S — CID 58414528

IUPACN-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine
SMILESCc1c(Nc2ccc(S(=O)(=O)C3CC3)cc2Cl)ncnc1OC(C)C
InChIInChI=1S/C17H20ClN3O3S/c1-10(2)24-17-11(3)16(19-9-20-17)21-15-7-6-13(8-14(15)18)25(22,23)12-4-5-12/h6-10,12H,4-5H2,1-3H3,(H,19,20,21)
InChIKeyQVTOXMITYLGVAQ-UHFFFAOYSA-N
MW381.89 g/mol
LogP3.91
Rot. Bonds6

About N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine

N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine (PubChem CID 58414528) has the molecular formula C17H20ClN3O3S and a molecular weight of 381.89 g/mol. Its IUPAC name is N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine
PubChem CID58414528
Molecular FormulaC17H20ClN3O3S
Molecular Weight381.89 g/mol
Exact Mass381.09
IUPAC NameN-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine
SMILESCc1c(Nc2ccc(S(=O)(=O)C3CC3)cc2Cl)ncnc1OC(C)C
InChIInChI=1S/C17H20ClN3O3S/c1-10(2)24-17-11(3)16(19-9-20-17)21-15-7-6-13(8-14(15)18)25(22,23)12-4-5-12/h6-10,12H,4-5H2,1-3H3,(H,19,20,21)
InChIKeyQVTOXMITYLGVAQ-UHFFFAOYSA-N
XLogP3.91
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine
CID 58061796
4-(2-chloro-4-cyclopropylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-yloxypyrimidine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-yloxypyrimidine
CID 161325782
3-chloro-4-[[6-[[(1S,5S)-8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-5-methylpyrimidin-4-yl]amino]benzonitrile
CID 54587590
tert-butyl 3-[6-[2-chloro-4-(trifluoromethylsulfonyl)anilino]-5-methylpyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 58415143
tert-butyl 3-[6-(4-cyclopropylsulfonyl-2-methylanilino)-5-methylpyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 58415130
N-(2-fluoro-4-methylsulfonylphenyl)-5-methoxy-6-propan-2-yloxypyrimidin-4-amine
CID 58414503
N-(4-chloro-2-methylphenyl)-5-nitro-6-propan-2-yloxypyrimidin-4-amine
CID 23485135
tert-butyl 7-[6-(2-chloro-4-methylsulfonylanilino)-5-methylpyrimidin-4-yl]oxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 122194338
cyclobutyl 3-[6-(4-cyclopropylsulfonyl-2-fluoroanilino)-5-methylpyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 58415022
cyclobutyl 7-[6-[2-chloro-4-(trifluoromethylsulfonyl)anilino]-5-methylpyrimidin-4-yl]oxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 58415105
propan-2-yl 4-[6-(2-chloro-4-cyclopropylsulfinylanilino)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 89472894
4-N-(4-chloro-2-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 22546490

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine?
The IUPAC name of N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine (CID 58414528) is N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine.
What is the SMILES notation for N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine?
The canonical SMILES for N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine is Cc1c(Nc2ccc(S(=O)(=O)C3CC3)cc2Cl)ncnc1OC(C)C.
What is the InChIKey of N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine?
The InChIKey is QVTOXMITYLGVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3S/c1-10(2)24-17-11(3)16(19-9-20-17)21-15-7-6-13(8-14(15)18)25(22,23)12-4-5-12/h6-10,12H,4-5H2,1-3H3,(H,19,20,21).
What are the key properties of N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine?
N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine has a molecular weight of 381.89 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine is sourced from PubChem (CID 58414528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).