N-[3-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide

C25H35N7O4 — CID 87482089

IUPACN-[3-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
SMILESC/C(=N/N(C)C)c1cccc(NC(=O)c2cc(OCCN3CCOCC3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C25H35N7O4/c1-19(29-30(2)3)20-5-4-6-21(17-20)26-24(33)22-18-23(36-16-9-31-7-12-34-13-8-31)28-25(27-22)32-10-14-35-15-11-32/h4-6,17-18H,7-16H2,1-3H3,(H,26,33)/b29-19-
InChIKeyNEWSCIQZYUGTLN-CEUNXORHSA-N
MW497.60 g/mol
LogP1.56
Rot. Bonds9

About N-[3-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide

N-[3-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide (PubChem CID 87482089) has the molecular formula C25H35N7O4 and a molecular weight of 497.60 g/mol. Its IUPAC name is N-[3-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
PubChem CID87482089
Molecular FormulaC25H35N7O4
Molecular Weight497.60 g/mol
Exact Mass497.28
IUPAC NameN-[3-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
SMILESC/C(=N/N(C)C)c1cccc(NC(=O)c2cc(OCCN3CCOCC3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C25H35N7O4/c1-19(29-30(2)3)20-5-4-6-21(17-20)26-24(33)22-18-23(36-16-9-31-7-12-34-13-8-31)28-25(27-22)32-10-14-35-15-11-32/h4-6,17-18H,7-16H2,1-3H3,(H,26,33)/b29-19-
InChIKeyNEWSCIQZYUGTLN-CEUNXORHSA-N
XLogP1.56
TPSA104.65 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 11620156
N-(3-chlorophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 59258759
N-[3-[methyl(propan-2-yl)amino]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 59258746
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
N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-(2-piperazin-1-ylethoxy)pyrimidine-4-carboxamide
CID 59258559
1-(3-cyanophenyl)-3-[2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]urea
CID 59258635
2-(dipropylamino)-6-(2-morpholin-4-ylethoxy)-N-(3-sulfamoylphenyl)pyrimidine-4-carboxamide
CID 143341027
1-(4-methylphenyl)-3-[2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]urea
CID 11583059

Frequently Asked Questions

What is the IUPAC name of N-[3-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide?
The IUPAC name of N-[3-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide (CID 87482089) is N-[3-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[3-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide?
The canonical SMILES for N-[3-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide is C/C(=N/N(C)C)c1cccc(NC(=O)c2cc(OCCN3CCOCC3)nc(N3CCOCC3)n2)c1.
What is the InChIKey of N-[3-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide?
The InChIKey is NEWSCIQZYUGTLN-CEUNXORHSA-N. The full InChI is InChI=1S/C25H35N7O4/c1-19(29-30(2)3)20-5-4-6-21(17-20)26-24(33)22-18-23(36-16-9-31-7-12-34-13-8-31)28-25(27-22)32-10-14-35-15-11-32/h4-6,17-18H,7-16H2,1-3H3,(H,26,33)/b29-19-.
What are the key properties of N-[3-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide?
N-[3-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide has a molecular weight of 497.60 g/mol, XLogP of 1.56, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide is sourced from PubChem (CID 87482089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).