4-(1,3-dihydroisoindol-2-yl)-6-methyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine

C23H25N5O3S — CID 44526921

IUPAC4-(1,3-dihydroisoindol-2-yl)-6-methyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine
SMILESCc1cc(N2Cc3ccccc3C2)nc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C23H25N5O3S/c1-17-14-22(27-15-18-4-2-3-5-19(18)16-27)26-23(24-17)25-20-6-8-21(9-7-20)32(29,30)28-10-12-31-13-11-28/h2-9,14H,10-13,15-16H2,1H3,(H,24,25,26)
InChIKeyHVQSWODAFSLUNQ-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.07
Rot. Bonds5

About 4-(1,3-dihydroisoindol-2-yl)-6-methyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine

4-(1,3-dihydroisoindol-2-yl)-6-methyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine (PubChem CID 44526921) has the molecular formula C23H25N5O3S and a molecular weight of 451.55 g/mol. Its IUPAC name is 4-(1,3-dihydroisoindol-2-yl)-6-methyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1,3-dihydroisoindol-2-yl)-6-methyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine
PubChem CID44526921
Molecular FormulaC23H25N5O3S
Molecular Weight451.55 g/mol
Exact Mass451.17
IUPAC Name4-(1,3-dihydroisoindol-2-yl)-6-methyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine
SMILESCc1cc(N2Cc3ccccc3C2)nc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C23H25N5O3S/c1-17-14-22(27-15-18-4-2-3-5-19(18)16-27)26-23(24-17)25-20-6-8-21(9-7-20)32(29,30)28-10-12-31-13-11-28/h2-9,14H,10-13,15-16H2,1H3,(H,24,25,26)
InChIKeyHVQSWODAFSLUNQ-UHFFFAOYSA-N
XLogP3.07
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine
CID 53047748
(E)-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]-2-phenylethenesulfonamide
CID 122288185
N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 122288193
N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]naphthalene-1-sulfonamide
CID 122288208
2,4,5-trimethyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 27475758
2,5-dimethyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 27487631
N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]-1,2-dihydroacenaphthylene-3-sulfonamide
CID 44826898
4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine
CID 53047759
4-(1,3-dihydroisoindol-2-yl)-N,6-dimethylpyrimidin-2-amine
CID 80822586
3-acetyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 122288188
4-[6-methyl-2-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine
CID 27477978
N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 122288226

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dihydroisoindol-2-yl)-6-methyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(1,3-dihydroisoindol-2-yl)-6-methyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine (CID 44526921) is 4-(1,3-dihydroisoindol-2-yl)-6-methyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1,3-dihydroisoindol-2-yl)-6-methyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(1,3-dihydroisoindol-2-yl)-6-methyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine is Cc1cc(N2Cc3ccccc3C2)nc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1.
What is the InChIKey of 4-(1,3-dihydroisoindol-2-yl)-6-methyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine?
The InChIKey is HVQSWODAFSLUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3S/c1-17-14-22(27-15-18-4-2-3-5-19(18)16-27)26-23(24-17)25-20-6-8-21(9-7-20)32(29,30)28-10-12-31-13-11-28/h2-9,14H,10-13,15-16H2,1H3,(H,24,25,26).
What are the key properties of 4-(1,3-dihydroisoindol-2-yl)-6-methyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine?
4-(1,3-dihydroisoindol-2-yl)-6-methyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine has a molecular weight of 451.55 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dihydroisoindol-2-yl)-6-methyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 44526921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).