N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylpyrimidin-2-yl]phenyl]methyl]-N-methylethane-1,2-diamine

C24H32N6O3S — CID 146188250

IUPACN'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylpyrimidin-2-yl]phenyl]methyl]-N-methylethane-1,2-diamine
SMILESCNCCNCc1cccc(-c2nc(-c3c(C)noc3C)c(C)c(N3CCS(=O)(=O)CC3)n2)c1
InChIInChI=1S/C24H32N6O3S/c1-16-22(21-17(2)29-33-18(21)3)27-23(28-24(16)30-10-12-34(31,32)13-11-30)20-7-5-6-19(14-20)15-26-9-8-25-4/h5-7,14,25-26H,8-13,15H2,1-4H3
InChIKeyIXCPIUUIBHEBPT-UHFFFAOYSA-N
MW484.63 g/mol
LogP2.27
Rot. Bonds8

About N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylpyrimidin-2-yl]phenyl]methyl]-N-methylethane-1,2-diamine

N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylpyrimidin-2-yl]phenyl]methyl]-N-methylethane-1,2-diamine (PubChem CID 146188250) has the molecular formula C24H32N6O3S and a molecular weight of 484.63 g/mol. Its IUPAC name is N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylpyrimidin-2-yl]phenyl]methyl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylpyrimidin-2-yl]phenyl]methyl]-N-methylethane-1,2-diamine
PubChem CID146188250
Molecular FormulaC24H32N6O3S
Molecular Weight484.63 g/mol
Exact Mass484.23
IUPAC NameN'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylpyrimidin-2-yl]phenyl]methyl]-N-methylethane-1,2-diamine
SMILESCNCCNCc1cccc(-c2nc(-c3c(C)noc3C)c(C)c(N3CCS(=O)(=O)CC3)n2)c1
InChIInChI=1S/C24H32N6O3S/c1-16-22(21-17(2)29-33-18(21)3)27-23(28-24(16)30-10-12-34(31,32)13-11-30)20-7-5-6-19(14-20)15-26-9-8-25-4/h5-7,14,25-26H,8-13,15H2,1-4H3
InChIKeyIXCPIUUIBHEBPT-UHFFFAOYSA-N
XLogP2.27
TPSA113.25 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.63
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylpyrimidin-2-yl]phenyl]methyl]-N-methylethane-1,2-diamine with MolForge

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Related Compounds

N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methylpyrimidin-2-yl]phenyl]methyl]-N-methylethane-1,2-diamine
CID 146171720
N'-[[3-[4-(3,5-dimethyl-1,2-thiazol-4-yl)-5-methyl-6-piperidin-1-ylpyrimidin-2-yl]phenyl]methyl]-N-methylethane-1,2-diamine
CID 146171699
3-[2-tert-butyl-4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-2-[3-[[2-(methylamino)ethylamino]methyl]phenyl]pyrimidin-4-yl]piperazine-1-carbothioyl]sulfanylpropanoic acid
CID 175589262
1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-morpholin-4-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;N-methylmethanamine
CID 144708071
1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[(3R)-3-(methylamino)piperidin-1-yl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
CID 118881138
1-[3-[4-(4-cyclopropyl-3-ethylpiperazin-1-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
CID 123370079
1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[3-(methylsulfonylmethyl)azetidin-1-yl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
CID 153202325
N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]-4-fluorophenyl]methyl]-N-methylethane-1,2-diamine
CID 146188315
3-[[1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]-3-(hydroxymethyl)azetidin-3-yl]methyl]-1,1-dimethylurea
CID 118974487
N'-[[3-[4-anilino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-2-methylphenyl]methyl]-N-methylethane-1,2-diamine
CID 171776638
2,2-difluoroethyl 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]piperazine-1-carboxylate;N,N-dimethylformamide;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl]phenoxy]-3-(ethylamino)propan-2-ol
CID 144707918
3-[3-[4-(3-chloro-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-4-fluorophenoxy]-N-methylpropan-1-amine
CID 144708178

Frequently Asked Questions

What is the IUPAC name of N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylpyrimidin-2-yl]phenyl]methyl]-N-methylethane-1,2-diamine?
The IUPAC name of N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylpyrimidin-2-yl]phenyl]methyl]-N-methylethane-1,2-diamine (CID 146188250) is N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylpyrimidin-2-yl]phenyl]methyl]-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylpyrimidin-2-yl]phenyl]methyl]-N-methylethane-1,2-diamine?
The canonical SMILES for N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylpyrimidin-2-yl]phenyl]methyl]-N-methylethane-1,2-diamine is CNCCNCc1cccc(-c2nc(-c3c(C)noc3C)c(C)c(N3CCS(=O)(=O)CC3)n2)c1.
What is the InChIKey of N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylpyrimidin-2-yl]phenyl]methyl]-N-methylethane-1,2-diamine?
The InChIKey is IXCPIUUIBHEBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O3S/c1-16-22(21-17(2)29-33-18(21)3)27-23(28-24(16)30-10-12-34(31,32)13-11-30)20-7-5-6-19(14-20)15-26-9-8-25-4/h5-7,14,25-26H,8-13,15H2,1-4H3.
What are the key properties of N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylpyrimidin-2-yl]phenyl]methyl]-N-methylethane-1,2-diamine?
N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylpyrimidin-2-yl]phenyl]methyl]-N-methylethane-1,2-diamine has a molecular weight of 484.63 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylpyrimidin-2-yl]phenyl]methyl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 146188250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).