4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-[4-(3-morpholin-4-ylpropylsulfonyl)phenyl]pyrimidin-2-amine

C24H32N6O3S — CID 44589091

IUPAC4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-[4-(3-morpholin-4-ylpropylsulfonyl)phenyl]pyrimidin-2-amine
SMILESCc1ncc(-c2ccnc(Nc3ccc(S(=O)(=O)CCCN4CCOCC4)cc3)n2)n1C(C)C
InChIInChI=1S/C24H32N6O3S/c1-18(2)30-19(3)26-17-23(30)22-9-10-25-24(28-22)27-20-5-7-21(8-6-20)34(31,32)16-4-11-29-12-14-33-15-13-29/h5-10,17-18H,4,11-16H2,1-3H3,(H,25,27,28)
InChIKeyXIXCDPUONOFFOT-UHFFFAOYSA-N
MW484.63 g/mol
LogP3.47
Rot. Bonds9

About 4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-[4-(3-morpholin-4-ylpropylsulfonyl)phenyl]pyrimidin-2-amine

4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-[4-(3-morpholin-4-ylpropylsulfonyl)phenyl]pyrimidin-2-amine (PubChem CID 44589091) has the molecular formula C24H32N6O3S and a molecular weight of 484.63 g/mol. Its IUPAC name is 4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-[4-(3-morpholin-4-ylpropylsulfonyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-[4-(3-morpholin-4-ylpropylsulfonyl)phenyl]pyrimidin-2-amine
PubChem CID44589091
Molecular FormulaC24H32N6O3S
Molecular Weight484.63 g/mol
Exact Mass484.23
IUPAC Name4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-[4-(3-morpholin-4-ylpropylsulfonyl)phenyl]pyrimidin-2-amine
SMILESCc1ncc(-c2ccnc(Nc3ccc(S(=O)(=O)CCCN4CCOCC4)cc3)n2)n1C(C)C
InChIInChI=1S/C24H32N6O3S/c1-18(2)30-19(3)26-17-23(30)22-9-10-25-24(28-22)27-20-5-7-21(8-6-20)34(31,32)16-4-11-29-12-14-33-15-13-29/h5-10,17-18H,4,11-16H2,1-3H3,(H,25,27,28)
InChIKeyXIXCDPUONOFFOT-UHFFFAOYSA-N
XLogP3.47
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.63
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-[4-(3-morpholin-4-ylpropylsulfonyl)phenyl]pyrimidin-2-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

4-(2-Methyl-1-(1-methylethyl)-1H-imidazol-5-yl)-N-(4-(methylsulfonyl)phenyl)-2-pyrimidinamine
CID 16747683
N-(2-Methoxyethyl)-4-((4-(2-methyl-1-(1-methylethyl)-1H-imidazol-5-YL)pyrimidin-2-YL)amino)benzenesulfonamide
CID 24963033
4-((4-(1-Cyclopropyl-2-methyl-1H-imidazol-5-YL)pyrimidin-2-YL)amino)-N-methylbenzenesulfonamide
CID 24901723
Sulfonamide deriv. 3b
CID 6539025
Sulfonamide deriv. 3c
CID 6539026
Imidazo[1,2-a]pyridine deriv. 4f
CID 6539035
Imidazo[1,2-a]pyridine deriv. 4g
CID 6539036
4-(1-Ethyl-2-methylimidazol-5-yl)-2-{4-[n-(2-methoxyethyl)sulphamoyl]anilino}pyrimidine
CID 10158868
2-[4-(Morpholino)anilino]-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-5-fluoropyrimidine
CID 11315446
N-(2-methoxyethyl)-4-(4-(1,2,4-trimethyl-1H-imidazol-5-yl)pyrimidin-2-ylamino)benzenesulfonamide
CID 17933136
4-(4-(1,2-dimethyl-1H-imidazol-5-yl)pyrimidin-2-ylamino)-N-(2-methoxyethyl)benzenesulfonamide
CID 22273524
4-(1,2-Dimethylimidazol-5-yl)-2-[4-(N-methylsulphamoyl)anilino]pyrimidine
CID 22273530

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-[4-(3-morpholin-4-ylpropylsulfonyl)phenyl]pyrimidin-2-amine?
The IUPAC name of 4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-[4-(3-morpholin-4-ylpropylsulfonyl)phenyl]pyrimidin-2-amine (CID 44589091) is 4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-[4-(3-morpholin-4-ylpropylsulfonyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-[4-(3-morpholin-4-ylpropylsulfonyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-[4-(3-morpholin-4-ylpropylsulfonyl)phenyl]pyrimidin-2-amine is Cc1ncc(-c2ccnc(Nc3ccc(S(=O)(=O)CCCN4CCOCC4)cc3)n2)n1C(C)C.
What is the InChIKey of 4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-[4-(3-morpholin-4-ylpropylsulfonyl)phenyl]pyrimidin-2-amine?
The InChIKey is XIXCDPUONOFFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O3S/c1-18(2)30-19(3)26-17-23(30)22-9-10-25-24(28-22)27-20-5-7-21(8-6-20)34(31,32)16-4-11-29-12-14-33-15-13-29/h5-10,17-18H,4,11-16H2,1-3H3,(H,25,27,28).
What are the key properties of 4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-[4-(3-morpholin-4-ylpropylsulfonyl)phenyl]pyrimidin-2-amine?
4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-[4-(3-morpholin-4-ylpropylsulfonyl)phenyl]pyrimidin-2-amine has a molecular weight of 484.63 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-[4-(3-morpholin-4-ylpropylsulfonyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 44589091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).