3-[2-[4-[ethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-4-yl]-2-methylbenzamide

C24H27N5O2 — CID 68870664

IUPAC3-[2-[4-[ethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-4-yl]-2-methylbenzamide
SMILESCCN(C(=O)c1ccc(Nc2nccc(-c3cccc(C(N)=O)c3C)n2)cc1)C(C)C
InChIInChI=1S/C24H27N5O2/c1-5-29(15(2)3)23(31)17-9-11-18(12-10-17)27-24-26-14-13-21(28-24)19-7-6-8-20(16(19)4)22(25)30/h6-15H,5H2,1-4H3,(H2,25,30)(H,26,27,28)
InChIKeyBAOPLNAMMVXAHC-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.17
Rot. Bonds7

About 3-[2-[4-[ethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-4-yl]-2-methylbenzamide

3-[2-[4-[ethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-4-yl]-2-methylbenzamide (PubChem CID 68870664) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 3-[2-[4-[ethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-4-yl]-2-methylbenzamide.

Molecular Properties

Compound Name3-[2-[4-[ethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-4-yl]-2-methylbenzamide
PubChem CID68870664
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name3-[2-[4-[ethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-4-yl]-2-methylbenzamide
SMILESCCN(C(=O)c1ccc(Nc2nccc(-c3cccc(C(N)=O)c3C)n2)cc1)C(C)C
InChIInChI=1S/C24H27N5O2/c1-5-29(15(2)3)23(31)17-9-11-18(12-10-17)27-24-26-14-13-21(28-24)19-7-6-8-20(16(19)4)22(25)30/h6-15H,5H2,1-4H3,(H2,25,30)(H,26,27,28)
InChIKeyBAOPLNAMMVXAHC-UHFFFAOYSA-N
XLogP4.17
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[4-(butan-2-ylcarbamoyl)anilino]pyrimidin-4-yl]-2-methylbenzamide
CID 69267186
2-methyl-3-[2-[4-(propan-2-ylcarbamoyl)anilino]pyrimidin-4-yl]benzamide
CID 68870589
3-[2-[4-(cyclopropylcarbamoyl)anilino]pyrimidin-4-yl]-2-methylbenzamide
CID 68871427
4-[[4-(3-amino-2-methylphenyl)pyrimidin-2-yl]amino]-N,N-dibenzylbenzamide
CID 69269219
4-tert-butyl-N-[2-methyl-3-[2-[4-[methyl(propan-2-yl)carbamoyl]anilino]pyrimidin-4-yl]phenyl]benzamide
CID 24859531
[4-[[4-(3-amino-2-methylphenyl)pyrimidin-2-yl]amino]phenyl]-pyrrolidin-1-ylmethanone
CID 68872034
4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide
CID 69235477
ethyl 4-[[4-(2-methylpropylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109297055
N-[3-[2-[4-(dimethylcarbamoyl)anilino]pyrimidin-4-yl]-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 24859527
ethyl 4-[[4-[ethyl(phenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109315907
4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N,N-bis(3-methylbutyl)benzamide
CID 58716932
4-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzamide
CID 44580824

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[ethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-4-yl]-2-methylbenzamide?
The IUPAC name of 3-[2-[4-[ethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-4-yl]-2-methylbenzamide (CID 68870664) is 3-[2-[4-[ethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-4-yl]-2-methylbenzamide.
What is the SMILES notation for 3-[2-[4-[ethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-4-yl]-2-methylbenzamide?
The canonical SMILES for 3-[2-[4-[ethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-4-yl]-2-methylbenzamide is CCN(C(=O)c1ccc(Nc2nccc(-c3cccc(C(N)=O)c3C)n2)cc1)C(C)C.
What is the InChIKey of 3-[2-[4-[ethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-4-yl]-2-methylbenzamide?
The InChIKey is BAOPLNAMMVXAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-5-29(15(2)3)23(31)17-9-11-18(12-10-17)27-24-26-14-13-21(28-24)19-7-6-8-20(16(19)4)22(25)30/h6-15H,5H2,1-4H3,(H2,25,30)(H,26,27,28).
What are the key properties of 3-[2-[4-[ethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-4-yl]-2-methylbenzamide?
3-[2-[4-[ethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-4-yl]-2-methylbenzamide has a molecular weight of 417.51 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[ethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-4-yl]-2-methylbenzamide is sourced from PubChem (CID 68870664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).