N-[1-[(2,6-dimethyl-4-phenoxyphenyl)methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide

C24H24N4O3 — CID 25232412

IUPACN-[1-[(2,6-dimethyl-4-phenoxyphenyl)methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
SMILESCc1cc(Oc2ccccc2)cc(C)c1CNC(=O)C1(NC(=O)c2cncnc2)CC1
InChIInChI=1S/C24H24N4O3/c1-16-10-20(31-19-6-4-3-5-7-19)11-17(2)21(16)14-27-23(30)24(8-9-24)28-22(29)18-12-25-15-26-13-18/h3-7,10-13,15H,8-9,14H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyUDIWVQBDVWBRNI-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.46
Rot. Bonds7

About N-[1-[(2,6-dimethyl-4-phenoxyphenyl)methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide

N-[1-[(2,6-dimethyl-4-phenoxyphenyl)methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide (PubChem CID 25232412) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[1-[(2,6-dimethyl-4-phenoxyphenyl)methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(2,6-dimethyl-4-phenoxyphenyl)methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
PubChem CID25232412
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC NameN-[1-[(2,6-dimethyl-4-phenoxyphenyl)methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
SMILESCc1cc(Oc2ccccc2)cc(C)c1CNC(=O)C1(NC(=O)c2cncnc2)CC1
InChIInChI=1S/C24H24N4O3/c1-16-10-20(31-19-6-4-3-5-7-19)11-17(2)21(16)14-27-23(30)24(8-9-24)28-22(29)18-12-25-15-26-13-18/h3-7,10-13,15H,8-9,14H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyUDIWVQBDVWBRNI-UHFFFAOYSA-N
XLogP3.46
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[[4-phenoxy-3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 25232589
N-[1-[[4-(4-carbamoylphenoxy)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 25232411
N-[1-[[4-(2-amino-4-methylphenoxy)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 89198786
N-[1-[[4-(4-methoxy-2-methylanilino)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 59496187
N-[1-[[4-[4-(1-hydroxyethyl)-3-methoxyphenoxy]phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 66792559
N-[1-[[4-(2,4-dichlorophenoxy)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 25233474
N-[1-[[4-(4-bromo-2-chlorophenoxy)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 58487821
N-[1-[(4-bromo-2-fluorophenyl)methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 69268257
CID 87152874
CID 87152874
methyl 4-[4-[[[1-(pyrimidine-5-carbonylamino)cyclopropanecarbonyl]amino]methyl]phenoxy]-3-(trifluoromethyl)benzoate
CID 66792184
N-[1-[[4-[2-bromo-4-(1-hydroxyethyl)phenoxy]phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 71024524
N-[1-[[4-[4-chloro-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 66792381

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,6-dimethyl-4-phenoxyphenyl)methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide?
The IUPAC name of N-[1-[(2,6-dimethyl-4-phenoxyphenyl)methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide (CID 25232412) is N-[1-[(2,6-dimethyl-4-phenoxyphenyl)methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-[(2,6-dimethyl-4-phenoxyphenyl)methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[1-[(2,6-dimethyl-4-phenoxyphenyl)methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide is Cc1cc(Oc2ccccc2)cc(C)c1CNC(=O)C1(NC(=O)c2cncnc2)CC1.
What is the InChIKey of N-[1-[(2,6-dimethyl-4-phenoxyphenyl)methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide?
The InChIKey is UDIWVQBDVWBRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-16-10-20(31-19-6-4-3-5-7-19)11-17(2)21(16)14-27-23(30)24(8-9-24)28-22(29)18-12-25-15-26-13-18/h3-7,10-13,15H,8-9,14H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of N-[1-[(2,6-dimethyl-4-phenoxyphenyl)methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide?
N-[1-[(2,6-dimethyl-4-phenoxyphenyl)methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,6-dimethyl-4-phenoxyphenyl)methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 25232412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).