N-[3-[methyl(propan-2-yl)amino]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide

C25H36N6O4 — CID 59258746

IUPACN-[3-[methyl(propan-2-yl)amino]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
SMILESCC(C)N(C)c1cccc(NC(=O)c2cc(OCCN3CCOCC3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C25H36N6O4/c1-19(2)29(3)21-6-4-5-20(17-21)26-24(32)22-18-23(35-16-9-30-7-12-33-13-8-30)28-25(27-22)31-10-14-34-15-11-31/h4-6,17-19H,7-16H2,1-3H3,(H,26,32)
InChIKeyQOGSUIXRZFTWHX-UHFFFAOYSA-N
MW484.60 g/mol
LogP2.12
Rot. Bonds9

About N-[3-[methyl(propan-2-yl)amino]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide

N-[3-[methyl(propan-2-yl)amino]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide (PubChem CID 59258746) has the molecular formula C25H36N6O4 and a molecular weight of 484.60 g/mol. Its IUPAC name is N-[3-[methyl(propan-2-yl)amino]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[methyl(propan-2-yl)amino]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
PubChem CID59258746
Molecular FormulaC25H36N6O4
Molecular Weight484.60 g/mol
Exact Mass484.28
IUPAC NameN-[3-[methyl(propan-2-yl)amino]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
SMILESCC(C)N(C)c1cccc(NC(=O)c2cc(OCCN3CCOCC3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C25H36N6O4/c1-19(2)29(3)21-6-4-5-20(17-21)26-24(32)22-18-23(35-16-9-30-7-12-33-13-8-30)28-25(27-22)31-10-14-34-15-11-31/h4-6,17-19H,7-16H2,1-3H3,(H,26,32)
InChIKeyQOGSUIXRZFTWHX-UHFFFAOYSA-N
XLogP2.12
TPSA92.29 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(3-chlorophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 59258759
N-(3-bromophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 11620156
N-[3-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 87482089
N-[3-[2-(methoxyamino)ethenyl]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 91415700
N-(2-acetamidophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 11634188
N'-(3-methylphenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carbohydrazide
CID 58808808
2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrimidine-4-carboxamide
CID 59258524
1-(3-methylphenyl)-3-[2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]urea
CID 11711913
2-(dipropylamino)-6-(2-morpholin-4-ylethoxy)-N-(3-sulfamoylphenyl)pyrimidine-4-carboxamide
CID 143341027
N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-(2-piperazin-1-ylethoxy)pyrimidine-4-carboxamide
CID 59258559
2-(dipropylamino)-N-[4-(methylamino)phenyl]-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 143450222
1-(3-cyanophenyl)-3-[2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]urea
CID 59258635

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(propan-2-yl)amino]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide?
The IUPAC name of N-[3-[methyl(propan-2-yl)amino]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide (CID 59258746) is N-[3-[methyl(propan-2-yl)amino]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[3-[methyl(propan-2-yl)amino]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide?
The canonical SMILES for N-[3-[methyl(propan-2-yl)amino]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide is CC(C)N(C)c1cccc(NC(=O)c2cc(OCCN3CCOCC3)nc(N3CCOCC3)n2)c1.
What is the InChIKey of N-[3-[methyl(propan-2-yl)amino]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide?
The InChIKey is QOGSUIXRZFTWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N6O4/c1-19(2)29(3)21-6-4-5-20(17-21)26-24(32)22-18-23(35-16-9-30-7-12-33-13-8-30)28-25(27-22)31-10-14-34-15-11-31/h4-6,17-19H,7-16H2,1-3H3,(H,26,32).
What are the key properties of N-[3-[methyl(propan-2-yl)amino]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide?
N-[3-[methyl(propan-2-yl)amino]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide has a molecular weight of 484.60 g/mol, XLogP of 2.12, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(propan-2-yl)amino]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide is sourced from PubChem (CID 59258746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).