N-[2,4-bis(4-methoxyanilino)-6-methylpyrimidin-5-yl]furan-2-carboxamide

C24H23N5O4 — CID 46324048

IUPACN-[2,4-bis(4-methoxyanilino)-6-methylpyrimidin-5-yl]furan-2-carboxamide
SMILESCOc1ccc(Nc2nc(C)c(NC(=O)c3ccco3)c(Nc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C24H23N5O4/c1-15-21(28-23(30)20-5-4-14-33-20)22(26-16-6-10-18(31-2)11-7-16)29-24(25-15)27-17-8-12-19(32-3)13-9-17/h4-14H,1-3H3,(H,28,30)(H2,25,26,27,29)
InChIKeySKYCWQSQKHKWME-UHFFFAOYSA-N
MW445.48 g/mol
LogP5.13
Rot. Bonds8

About N-[2,4-bis(4-methoxyanilino)-6-methylpyrimidin-5-yl]furan-2-carboxamide

N-[2,4-bis(4-methoxyanilino)-6-methylpyrimidin-5-yl]furan-2-carboxamide (PubChem CID 46324048) has the molecular formula C24H23N5O4 and a molecular weight of 445.48 g/mol. Its IUPAC name is N-[2,4-bis(4-methoxyanilino)-6-methylpyrimidin-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2,4-bis(4-methoxyanilino)-6-methylpyrimidin-5-yl]furan-2-carboxamide
PubChem CID46324048
Molecular FormulaC24H23N5O4
Molecular Weight445.48 g/mol
Exact Mass445.18
IUPAC NameN-[2,4-bis(4-methoxyanilino)-6-methylpyrimidin-5-yl]furan-2-carboxamide
SMILESCOc1ccc(Nc2nc(C)c(NC(=O)c3ccco3)c(Nc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C24H23N5O4/c1-15-21(28-23(30)20-5-4-14-33-20)22(26-16-6-10-18(31-2)11-7-16)29-24(25-15)27-17-8-12-19(32-3)13-9-17/h4-14H,1-3H3,(H,28,30)(H2,25,26,27,29)
InChIKeySKYCWQSQKHKWME-UHFFFAOYSA-N
XLogP5.13
TPSA110.54 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.48
LogP ≤ 55.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]furan-2-carboxamide
CID 20932940
N-[2,4-bis(4-methoxyanilino)-6-methylpyrimidin-5-yl]-3-methylbenzamide
CID 46324050
N-[2,4-bis(4-ethoxyanilino)-6-methylpyrimidin-5-yl]benzamide
CID 22433684
N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 722971
N-[4-[(3-methoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 780805
N-[4-[2-(4-methoxyphenoxy)propanoylamino]phenyl]furan-2-carboxamide
CID 51327622
N-(2,3-dimethylquinoxalin-6-yl)furan-2-carboxamide
CID 3734340
2,2-dimethyl-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]propanamide
CID 35397696
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
[4-(furan-2-carbonylamino)phenyl] acetate
CID 1262434
N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
CID 39350111
N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]furan-2-carboxamide
CID 44522249

Frequently Asked Questions

What is the IUPAC name of N-[2,4-bis(4-methoxyanilino)-6-methylpyrimidin-5-yl]furan-2-carboxamide?
The IUPAC name of N-[2,4-bis(4-methoxyanilino)-6-methylpyrimidin-5-yl]furan-2-carboxamide (CID 46324048) is N-[2,4-bis(4-methoxyanilino)-6-methylpyrimidin-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[2,4-bis(4-methoxyanilino)-6-methylpyrimidin-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[2,4-bis(4-methoxyanilino)-6-methylpyrimidin-5-yl]furan-2-carboxamide is COc1ccc(Nc2nc(C)c(NC(=O)c3ccco3)c(Nc3ccc(OC)cc3)n2)cc1.
What is the InChIKey of N-[2,4-bis(4-methoxyanilino)-6-methylpyrimidin-5-yl]furan-2-carboxamide?
The InChIKey is SKYCWQSQKHKWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4/c1-15-21(28-23(30)20-5-4-14-33-20)22(26-16-6-10-18(31-2)11-7-16)29-24(25-15)27-17-8-12-19(32-3)13-9-17/h4-14H,1-3H3,(H,28,30)(H2,25,26,27,29).
What are the key properties of N-[2,4-bis(4-methoxyanilino)-6-methylpyrimidin-5-yl]furan-2-carboxamide?
N-[2,4-bis(4-methoxyanilino)-6-methylpyrimidin-5-yl]furan-2-carboxamide has a molecular weight of 445.48 g/mol, XLogP of 5.13, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-bis(4-methoxyanilino)-6-methylpyrimidin-5-yl]furan-2-carboxamide is sourced from PubChem (CID 46324048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).