N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)propanamide

C24H24N6O — CID 122291876

IUPACN-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)Nc2ccc(Nc3cc(-n4ccnc4C)ncn3)cc2)c1
InChIInChI=1S/C24H24N6O/c1-17-4-3-5-19(14-17)6-11-24(31)29-21-9-7-20(8-10-21)28-22-15-23(27-16-26-22)30-13-12-25-18(30)2/h3-5,7-10,12-16H,6,11H2,1-2H3,(H,29,31)(H,26,27,28)
InChIKeyJAXLQYJURAPTQD-UHFFFAOYSA-N
MW412.50 g/mol
LogP4.59
Rot. Bonds7

About N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)propanamide

N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)propanamide (PubChem CID 122291876) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)propanamide
PubChem CID122291876
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC NameN-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)Nc2ccc(Nc3cc(-n4ccnc4C)ncn3)cc2)c1
InChIInChI=1S/C24H24N6O/c1-17-4-3-5-19(14-17)6-11-24(31)29-21-9-7-20(8-10-21)28-22-15-23(27-16-26-22)30-13-12-25-18(30)2/h3-5,7-10,12-16H,6,11H2,1-2H3,(H,29,31)(H,26,27,28)
InChIKeyJAXLQYJURAPTQD-UHFFFAOYSA-N
XLogP4.59
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-phenylacetamide
CID 121073957
N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-pyrrol-1-ylacetamide
CID 122291908
N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-naphthalen-1-ylacetamide
CID 122291817
N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-phenoxyacetamide
CID 121073956
2,5-dimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzamide
CID 121073969
N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-(3-methylphenyl)acetamide
CID 122290839
2-(4-chlorophenoxy)-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 121073975
1-(3,4-dimethylphenyl)-3-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]urea
CID 121074302
N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]cyclobutanecarboxamide
CID 122291838
4-iodo-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzamide
CID 121073990
N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-4-oxochromene-2-carboxamide
CID 122291827
1-(3-chloro-4-methylphenyl)-3-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]urea
CID 121074292

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)propanamide?
The IUPAC name of N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)propanamide (CID 122291876) is N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)propanamide is Cc1cccc(CCC(=O)Nc2ccc(Nc3cc(-n4ccnc4C)ncn3)cc2)c1.
What is the InChIKey of N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)propanamide?
The InChIKey is JAXLQYJURAPTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c1-17-4-3-5-19(14-17)6-11-24(31)29-21-9-7-20(8-10-21)28-22-15-23(27-16-26-22)30-13-12-25-18(30)2/h3-5,7-10,12-16H,6,11H2,1-2H3,(H,29,31)(H,26,27,28).
What are the key properties of N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)propanamide?
N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)propanamide has a molecular weight of 412.50 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 122291876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).