(2R)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-phenylbutanamide

C24H24N6O — CID 122291533

IUPAC(2R)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)Nc1ccc(Nc2cc(-n3ccnc3)nc(C)n2)cc1)c1ccccc1
InChIInChI=1S/C24H24N6O/c1-3-21(18-7-5-4-6-8-18)24(31)29-20-11-9-19(10-12-20)28-22-15-23(27-17(2)26-22)30-14-13-25-16-30/h4-16,21H,3H2,1-2H3,(H,29,31)(H,26,27,28)/t21-/m1/s1
InChIKeyCGKBOACSNOWKHM-OAQYLSRUSA-N
MW412.50 g/mol
LogP4.85
Rot. Bonds7

About (2R)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-phenylbutanamide

(2R)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-phenylbutanamide (PubChem CID 122291533) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is (2R)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-phenylbutanamide
PubChem CID122291533
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC Name(2R)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)Nc1ccc(Nc2cc(-n3ccnc3)nc(C)n2)cc1)c1ccccc1
InChIInChI=1S/C24H24N6O/c1-3-21(18-7-5-4-6-8-18)24(31)29-20-11-9-19(10-12-20)28-22-15-23(27-17(2)26-22)30-14-13-25-16-30/h4-16,21H,3H2,1-2H3,(H,29,31)(H,26,27,28)/t21-/m1/s1
InChIKeyCGKBOACSNOWKHM-OAQYLSRUSA-N
XLogP4.85
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 ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-phenylbutanamide
CID 122297288
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]propanamide
CID 70702579
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-3-methylbutanamide
CID 70702650
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-naphthalen-1-ylacetamide
CID 122291584
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]pyridine-2-carboxamide
CID 122291528
1-(3-ethylphenyl)-3-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]urea
CID 56920804
1-(2-chlorophenyl)-3-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]urea
CID 56920689
2-(1,3-dioxoisoindol-2-yl)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122291598
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-pyrimidin-2-yloxyacetamide
CID 121086772
N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-phenylbutanamide
CID 122310017
2,6-difluoro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]benzamide
CID 70702892
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-phenylbutanamide
CID 122325653

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-phenylbutanamide?
The IUPAC name of (2R)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-phenylbutanamide (CID 122291533) is (2R)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-phenylbutanamide.
What is the SMILES notation for (2R)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-phenylbutanamide?
The canonical SMILES for (2R)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-phenylbutanamide is CC[C@@H](C(=O)Nc1ccc(Nc2cc(-n3ccnc3)nc(C)n2)cc1)c1ccccc1.
What is the InChIKey of (2R)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-phenylbutanamide?
The InChIKey is CGKBOACSNOWKHM-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H24N6O/c1-3-21(18-7-5-4-6-8-18)24(31)29-20-11-9-19(10-12-20)28-22-15-23(27-17(2)26-22)30-14-13-25-16-30/h4-16,21H,3H2,1-2H3,(H,29,31)(H,26,27,28)/t21-/m1/s1.
What are the key properties of (2R)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-phenylbutanamide?
(2R)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-phenylbutanamide has a molecular weight of 412.50 g/mol, XLogP of 4.85, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-phenylbutanamide is sourced from PubChem (CID 122291533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).