N-[3-[[5-acetyl-4-[[cyclopropyl(phenyl)methyl]amino]pyrimidin-2-yl]amino]phenyl]acetamide

C24H25N5O2 — CID 90873122

IUPACN-[3-[[5-acetyl-4-[[cyclopropyl(phenyl)methyl]amino]pyrimidin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncc(C(C)=O)c(NC(c3ccccc3)C3CC3)n2)c1
InChIInChI=1S/C24H25N5O2/c1-15(30)21-14-25-24(27-20-10-6-9-19(13-20)26-16(2)31)29-23(21)28-22(18-11-12-18)17-7-4-3-5-8-17/h3-10,13-14,18,22H,11-12H2,1-2H3,(H,26,31)(H2,25,27,28,29)
InChIKeyVMBLRDGPGDOQQD-UHFFFAOYSA-N
MW415.50 g/mol
LogP4.94
Rot. Bonds8

About N-[3-[[5-acetyl-4-[[cyclopropyl(phenyl)methyl]amino]pyrimidin-2-yl]amino]phenyl]acetamide

N-[3-[[5-acetyl-4-[[cyclopropyl(phenyl)methyl]amino]pyrimidin-2-yl]amino]phenyl]acetamide (PubChem CID 90873122) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is N-[3-[[5-acetyl-4-[[cyclopropyl(phenyl)methyl]amino]pyrimidin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[5-acetyl-4-[[cyclopropyl(phenyl)methyl]amino]pyrimidin-2-yl]amino]phenyl]acetamide
PubChem CID90873122
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC NameN-[3-[[5-acetyl-4-[[cyclopropyl(phenyl)methyl]amino]pyrimidin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncc(C(C)=O)c(NC(c3ccccc3)C3CC3)n2)c1
InChIInChI=1S/C24H25N5O2/c1-15(30)21-14-25-24(27-20-10-6-9-19(13-20)26-16(2)31)29-23(21)28-22(18-11-12-18)17-7-4-3-5-8-17/h3-10,13-14,18,22H,11-12H2,1-2H3,(H,26,31)(H2,25,27,28,29)
InChIKeyVMBLRDGPGDOQQD-UHFFFAOYSA-N
XLogP4.94
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[[5-acetyl-4-(cyclopropylamino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 58098819
4-(3-acetamidoanilino)-2-anilino-N-cyclopropylpyrimidine-5-carboxamide
CID 123814811
2-(3-acetamidoanilino)-4-[[(2S)-2-phenylpropyl]amino]pyrimidine-5-carboxamide
CID 66841229
2-[3-(methylamino)anilino]-4-[[(1R)-1-phenylethyl]amino]pyrimidine-5-carboxamide
CID 70832990
2-(3-acetamidoanilino)-4-[cyclobutyl(methyl)amino]pyrimidine-5-carboxamide
CID 66841709
2-(3-acetamidoanilino)-4-(N-cyclopropylanilino)pyrimidine-5-carboxamide
CID 68757072
2-(3-acetamidoanilino)-4-(pyrrolidin-3-ylmethylamino)pyrimidine-5-carboxylic acid
CID 58098802
N-[3-[[5-methyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 138729673
[3-[(5-acetyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl]carbamic acid
CID 90373764
N-[3-[(4-anilinoquinazolin-2-yl)amino]phenyl]acetamide
CID 71690531
N-[3-[(4-anilino-5-chloropyrimidin-2-yl)amino]phenyl]-2-methylbenzamide
CID 175186645
4-(benzylamino)-2-[3-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]anilino]pyrimidine-5-carboxamide
CID 58098906

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-acetyl-4-[[cyclopropyl(phenyl)methyl]amino]pyrimidin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[5-acetyl-4-[[cyclopropyl(phenyl)methyl]amino]pyrimidin-2-yl]amino]phenyl]acetamide (CID 90873122) is N-[3-[[5-acetyl-4-[[cyclopropyl(phenyl)methyl]amino]pyrimidin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[5-acetyl-4-[[cyclopropyl(phenyl)methyl]amino]pyrimidin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[5-acetyl-4-[[cyclopropyl(phenyl)methyl]amino]pyrimidin-2-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2ncc(C(C)=O)c(NC(c3ccccc3)C3CC3)n2)c1.
What is the InChIKey of N-[3-[[5-acetyl-4-[[cyclopropyl(phenyl)methyl]amino]pyrimidin-2-yl]amino]phenyl]acetamide?
The InChIKey is VMBLRDGPGDOQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-15(30)21-14-25-24(27-20-10-6-9-19(13-20)26-16(2)31)29-23(21)28-22(18-11-12-18)17-7-4-3-5-8-17/h3-10,13-14,18,22H,11-12H2,1-2H3,(H,26,31)(H2,25,27,28,29).
What are the key properties of N-[3-[[5-acetyl-4-[[cyclopropyl(phenyl)methyl]amino]pyrimidin-2-yl]amino]phenyl]acetamide?
N-[3-[[5-acetyl-4-[[cyclopropyl(phenyl)methyl]amino]pyrimidin-2-yl]amino]phenyl]acetamide has a molecular weight of 415.50 g/mol, XLogP of 4.94, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-acetyl-4-[[cyclopropyl(phenyl)methyl]amino]pyrimidin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 90873122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).