N-propan-2-yl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide

C23H27N5O — CID 10221937

IUPACN-propan-2-yl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide
SMILESCc1cc(C)c(Nc2ccnc(Nc3ccc(C(=O)NC(C)C)cc3)n2)c(C)c1
InChIInChI=1S/C23H27N5O/c1-14(2)25-22(29)18-6-8-19(9-7-18)26-23-24-11-10-20(28-23)27-21-16(4)12-15(3)13-17(21)5/h6-14H,1-5H3,(H,25,29)(H2,24,26,27,28)
InChIKeyCHBNBKARHXYSLV-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.03
Rot. Bonds6

About N-propan-2-yl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide

N-propan-2-yl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide (PubChem CID 10221937) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is N-propan-2-yl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-propan-2-yl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide
PubChem CID10221937
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC NameN-propan-2-yl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide
SMILESCc1cc(C)c(Nc2ccnc(Nc3ccc(C(=O)NC(C)C)cc3)n2)c(C)c1
InChIInChI=1S/C23H27N5O/c1-14(2)25-22(29)18-6-8-19(9-7-18)26-23-24-11-10-20(28-23)27-21-16(4)12-15(3)13-17(21)5/h6-14H,1-5H3,(H,25,29)(H2,24,26,27,28)
InChIKeyCHBNBKARHXYSLV-UHFFFAOYSA-N
XLogP5.03
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]-N-propan-2-ylbenzamide
CID 142145525
N-propan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109223266
4-[[4-[4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino]pyrimidin-2-yl]amino]benzamide
CID 129011928
ethyl 4-[[4-(4-methylanilino)pyrimidin-2-yl]amino]benzoate
CID 112901962
2-(4-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109316217
1-[4-[[4-(4-propan-2-yloxyanilino)pyrimidin-2-yl]amino]phenyl]ethanone
CID 112905191
2-methyl-3-[2-[4-(propan-2-ylcarbamoyl)anilino]pyrimidin-4-yl]benzamide
CID 68870589
1-[4-[[4-(2-ethyl-6-methylanilino)pyrimidin-2-yl]amino]phenyl]ethanone
CID 112903028
1-[4-[[4-(4-tert-butylanilino)pyrimidin-2-yl]amino]phenyl]ethanone
CID 112903389
4-N-(3,4,5-trimethoxyphenyl)-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 112903224
N-[4-[[2-(4-acetylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112905696
ethyl 4-[[2-(4-ethylanilino)pyrimidin-4-yl]amino]benzoate
CID 112902880

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide?
The IUPAC name of N-propan-2-yl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide (CID 10221937) is N-propan-2-yl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide.
What is the SMILES notation for N-propan-2-yl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide?
The canonical SMILES for N-propan-2-yl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide is Cc1cc(C)c(Nc2ccnc(Nc3ccc(C(=O)NC(C)C)cc3)n2)c(C)c1.
What is the InChIKey of N-propan-2-yl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide?
The InChIKey is CHBNBKARHXYSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-14(2)25-22(29)18-6-8-19(9-7-18)26-23-24-11-10-20(28-23)27-21-16(4)12-15(3)13-17(21)5/h6-14H,1-5H3,(H,25,29)(H2,24,26,27,28).
What are the key properties of N-propan-2-yl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide?
N-propan-2-yl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide has a molecular weight of 389.50 g/mol, XLogP of 5.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 10221937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).