N-(2-methanimidoyl-4-methyl-5-piperidin-4-ylphenyl)-2-methoxy-6-morpholin-4-ylpyrimidin-4-amine;methanol

C23H34N6O3 — CID 145234182

IUPACN-(2-methanimidoyl-4-methyl-5-piperidin-4-ylphenyl)-2-methoxy-6-morpholin-4-ylpyrimidin-4-amine;methanol
SMILESCO.[H]/N=C/c1cc(C)c(C2CCNCC2)cc1Nc1cc(N2CCOCC2)nc(OC)n1
InChIInChI=1S/C22H30N6O2.CH4O/c1-15-11-17(14-23)19(12-18(15)16-3-5-24-6-4-16)25-20-13-21(27-22(26-20)29-2)28-7-9-30-10-8-28;1-2/h11-14,16,23-24H,3-10H2,1-2H3,(H,25,26,27);2H,1H3/b23-14+;
InChIKeySJCLKGVJTGIFPI-MHVDTSALSA-N
MW442.56 g/mol
LogP2.45
Rot. Bonds6

About N-(2-methanimidoyl-4-methyl-5-piperidin-4-ylphenyl)-2-methoxy-6-morpholin-4-ylpyrimidin-4-amine;methanol

N-(2-methanimidoyl-4-methyl-5-piperidin-4-ylphenyl)-2-methoxy-6-morpholin-4-ylpyrimidin-4-amine;methanol (PubChem CID 145234182) has the molecular formula C23H34N6O3 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-(2-methanimidoyl-4-methyl-5-piperidin-4-ylphenyl)-2-methoxy-6-morpholin-4-ylpyrimidin-4-amine;methanol.

Molecular Properties

Compound NameN-(2-methanimidoyl-4-methyl-5-piperidin-4-ylphenyl)-2-methoxy-6-morpholin-4-ylpyrimidin-4-amine;methanol
PubChem CID145234182
Molecular FormulaC23H34N6O3
Molecular Weight442.56 g/mol
Exact Mass442.27
IUPAC NameN-(2-methanimidoyl-4-methyl-5-piperidin-4-ylphenyl)-2-methoxy-6-morpholin-4-ylpyrimidin-4-amine;methanol
SMILESCO.[H]/N=C/c1cc(C)c(C2CCNCC2)cc1Nc1cc(N2CCOCC2)nc(OC)n1
InChIInChI=1S/C22H30N6O2.CH4O/c1-15-11-17(14-23)19(12-18(15)16-3-5-24-6-4-16)25-20-13-21(27-22(26-20)29-2)28-7-9-30-10-8-28;1-2/h11-14,16,23-24H,3-10H2,1-2H3,(H,25,26,27);2H,1H3/b23-14+;
InChIKeySJCLKGVJTGIFPI-MHVDTSALSA-N
XLogP2.45
TPSA115.62 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 52.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(2-methanimidoyl-4-methyl-5-piperidin-4-ylphenyl)-2-methoxy-6-morpholin-4-ylpyrimidin-4-amine;methanol 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

1-[6-[2-methanimidoyl-4-methyl-5-[1-(oxetan-3-yl)piperidin-4-yl]anilino]-2-methoxypyrimidin-4-yl]-3-methylazetidin-3-ol
CID 145234188
N-[5-(3,3-difluoro-1-methylpiperidin-4-yl)-2-methanimidoyl-4-methylphenyl]-2-ethoxy-6-morpholin-4-ylpyrimidin-4-amine
CID 145234342
N-[2-methanimidoyl-4-methyl-5-[1-(oxolan-3-yl)piperidin-4-yl]phenyl]-2-methoxy-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-amine
CID 135273877
N-[2-methanimidoyl-4-methyl-5-[2-methyl-1-(oxetan-3-yl)piperidin-4-yl]phenyl]-2-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 135278572
tert-butyl 4-[5-[[6-[2-(hydroxymethyl)-3-methylmorpholin-4-yl]-2-methoxypyrimidin-4-yl]amino]-4-methanimidoyl-2-methylphenyl]piperidine-1-carboxylate
CID 135278565
[4-[6-[2-methanimidoyl-4-methyl-5-[2-methyl-1-(oxetan-3-yl)piperidin-4-yl]anilino]-2-methylpyrimidin-4-yl]morpholin-2-yl]methanol
CID 135278541
4-N-[5-(3-fluoro-1-methylpiperidin-4-yl)-2-methanimidoyl-4-methylphenyl]-2-methoxypyrimidine-4,6-diamine
CID 155468926
methyl 3-[6-(2-methanimidoyl-4-methyl-5-propan-2-yloxyanilino)-2-methoxypyrimidin-4-yl]-3-azabicyclo[3.1.1]heptane-6-carboxylate
CID 135273532
1-[6-[5-[(1R)-4-[aminomethyl(methyl)amino]-1-fluorobutyl]-2-methanimidoyl-4-methylanilino]-2-methoxypyrimidin-4-yl]azetidin-3-ol
CID 145234221
1-[5-[[6-(3-hydroxyazetidin-1-yl)-2-methylpyrimidin-4-yl]amino]-4-methanimidoyl-2-methylphenyl]piperidin-4-ol
CID 155469076
4-[1-(2-methoxy-6-morpholin-4-ylpyrimidin-4-yl)-5-methylindazol-6-yl]piperidin-3-ol
CID 145234277
N-(5-cyclobutyl-2-methanimidoylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 138550142

Frequently Asked Questions

What is the IUPAC name of N-(2-methanimidoyl-4-methyl-5-piperidin-4-ylphenyl)-2-methoxy-6-morpholin-4-ylpyrimidin-4-amine;methanol?
The IUPAC name of N-(2-methanimidoyl-4-methyl-5-piperidin-4-ylphenyl)-2-methoxy-6-morpholin-4-ylpyrimidin-4-amine;methanol (CID 145234182) is N-(2-methanimidoyl-4-methyl-5-piperidin-4-ylphenyl)-2-methoxy-6-morpholin-4-ylpyrimidin-4-amine;methanol.
What is the SMILES notation for N-(2-methanimidoyl-4-methyl-5-piperidin-4-ylphenyl)-2-methoxy-6-morpholin-4-ylpyrimidin-4-amine;methanol?
The canonical SMILES for N-(2-methanimidoyl-4-methyl-5-piperidin-4-ylphenyl)-2-methoxy-6-morpholin-4-ylpyrimidin-4-amine;methanol is CO.[H]/N=C/c1cc(C)c(C2CCNCC2)cc1Nc1cc(N2CCOCC2)nc(OC)n1.
What is the InChIKey of N-(2-methanimidoyl-4-methyl-5-piperidin-4-ylphenyl)-2-methoxy-6-morpholin-4-ylpyrimidin-4-amine;methanol?
The InChIKey is SJCLKGVJTGIFPI-MHVDTSALSA-N. The full InChI is InChI=1S/C22H30N6O2.CH4O/c1-15-11-17(14-23)19(12-18(15)16-3-5-24-6-4-16)25-20-13-21(27-22(26-20)29-2)28-7-9-30-10-8-28;1-2/h11-14,16,23-24H,3-10H2,1-2H3,(H,25,26,27);2H,1H3/b23-14+;.
What are the key properties of N-(2-methanimidoyl-4-methyl-5-piperidin-4-ylphenyl)-2-methoxy-6-morpholin-4-ylpyrimidin-4-amine;methanol?
N-(2-methanimidoyl-4-methyl-5-piperidin-4-ylphenyl)-2-methoxy-6-morpholin-4-ylpyrimidin-4-amine;methanol has a molecular weight of 442.56 g/mol, XLogP of 2.45, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methanimidoyl-4-methyl-5-piperidin-4-ylphenyl)-2-methoxy-6-morpholin-4-ylpyrimidin-4-amine;methanol is sourced from PubChem (CID 145234182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).