N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-phenylbutanamide

C23H27N5O — CID 122325653

IUPACN-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-phenylbutanamide
SMILESCCNc1nc(C)cc(Nc2ccc(NC(=O)C(CC)c3ccccc3)cc2)n1
InChIInChI=1S/C23H27N5O/c1-4-20(17-9-7-6-8-10-17)22(29)27-19-13-11-18(12-14-19)26-21-15-16(3)25-23(28-21)24-5-2/h6-15,20H,4-5H2,1-3H3,(H,27,29)(H2,24,25,26,28)
InChIKeyYXIKFAGXHAUGPM-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.09
Rot. Bonds8

About N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-phenylbutanamide

N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-phenylbutanamide (PubChem CID 122325653) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-phenylbutanamide
PubChem CID122325653
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC NameN-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-phenylbutanamide
SMILESCCNc1nc(C)cc(Nc2ccc(NC(=O)C(CC)c3ccccc3)cc2)n1
InChIInChI=1S/C23H27N5O/c1-4-20(17-9-7-6-8-10-17)22(29)27-19-13-11-18(12-14-19)26-21-15-16(3)25-23(28-21)24-5-2/h6-15,20H,4-5H2,1-3H3,(H,27,29)(H2,24,25,26,28)
InChIKeyYXIKFAGXHAUGPM-UHFFFAOYSA-N
XLogP5.09
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-phenylbutanamide
CID 122324495
1-(2-chlorophenyl)-3-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]urea
CID 53047962
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-pyrrol-1-ylacetamide
CID 122325817
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 122325725
(2R)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-phenylbutanamide
CID 122291533
3-chloro-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]benzamide
CID 53047804
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-fluorobenzamide
CID 53047801
N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-phenylbutanamide
CID 122297288
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-phenyltriazole-4-carboxamide
CID 122325694
1-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-(3-methylsulfanylphenyl)urea
CID 56921997
1-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 122325657

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-phenylbutanamide?
The IUPAC name of N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-phenylbutanamide (CID 122325653) is N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-phenylbutanamide.
What is the SMILES notation for N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-phenylbutanamide?
The canonical SMILES for N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-phenylbutanamide is CCNc1nc(C)cc(Nc2ccc(NC(=O)C(CC)c3ccccc3)cc2)n1.
What is the InChIKey of N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-phenylbutanamide?
The InChIKey is YXIKFAGXHAUGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-4-20(17-9-7-6-8-10-17)22(29)27-19-13-11-18(12-14-19)26-21-15-16(3)25-23(28-21)24-5-2/h6-15,20H,4-5H2,1-3H3,(H,27,29)(H2,24,25,26,28).
What are the key properties of N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-phenylbutanamide?
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-phenylbutanamide has a molecular weight of 389.50 g/mol, XLogP of 5.09, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-phenylbutanamide is sourced from PubChem (CID 122325653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).