2-methyl-3-[2-[4-(propan-2-ylcarbamoyl)anilino]pyrimidin-4-yl]benzamide

C22H23N5O2 — CID 68870589

IUPAC2-methyl-3-[2-[4-(propan-2-ylcarbamoyl)anilino]pyrimidin-4-yl]benzamide
SMILESCc1c(C(N)=O)cccc1-c1ccnc(Nc2ccc(C(=O)NC(C)C)cc2)n1
InChIInChI=1S/C22H23N5O2/c1-13(2)25-21(29)15-7-9-16(10-8-15)26-22-24-12-11-19(27-22)17-5-4-6-18(14(17)3)20(23)28/h4-13H,1-3H3,(H2,23,28)(H,25,29)(H,24,26,27)
InChIKeyBSWUNCRZGYDEDT-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.43
Rot. Bonds6

About 2-methyl-3-[2-[4-(propan-2-ylcarbamoyl)anilino]pyrimidin-4-yl]benzamide

2-methyl-3-[2-[4-(propan-2-ylcarbamoyl)anilino]pyrimidin-4-yl]benzamide (PubChem CID 68870589) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-methyl-3-[2-[4-(propan-2-ylcarbamoyl)anilino]pyrimidin-4-yl]benzamide.

Molecular Properties

Compound Name2-methyl-3-[2-[4-(propan-2-ylcarbamoyl)anilino]pyrimidin-4-yl]benzamide
PubChem CID68870589
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name2-methyl-3-[2-[4-(propan-2-ylcarbamoyl)anilino]pyrimidin-4-yl]benzamide
SMILESCc1c(C(N)=O)cccc1-c1ccnc(Nc2ccc(C(=O)NC(C)C)cc2)n1
InChIInChI=1S/C22H23N5O2/c1-13(2)25-21(29)15-7-9-16(10-8-15)26-22-24-12-11-19(27-22)17-5-4-6-18(14(17)3)20(23)28/h4-13H,1-3H3,(H2,23,28)(H,25,29)(H,24,26,27)
InChIKeyBSWUNCRZGYDEDT-UHFFFAOYSA-N
XLogP3.43
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[4-(butan-2-ylcarbamoyl)anilino]pyrimidin-4-yl]-2-methylbenzamide
CID 69267186
3-[2-[4-(cyclopropylcarbamoyl)anilino]pyrimidin-4-yl]-2-methylbenzamide
CID 68871427
3-[2-[4-[ethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-4-yl]-2-methylbenzamide
CID 68870664
4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]-N-propan-2-ylbenzamide
CID 142145525
[4-[[4-(3-amino-2-methylphenyl)pyrimidin-2-yl]amino]phenyl]-pyrrolidin-1-ylmethanone
CID 68872034
4-tert-butyl-N-[2-methyl-3-[2-[4-[methyl(propan-2-yl)carbamoyl]anilino]pyrimidin-4-yl]phenyl]benzamide
CID 24859531
N-propan-2-yl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide
CID 10221937
4-[[4-(3-amino-2-methylphenyl)pyrimidin-2-yl]amino]-N,N-dibenzylbenzamide
CID 69269219
4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide
CID 69235477
2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]-N-propan-2-ylbenzamide
CID 71813145
4-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzamide
CID 44580824
N-[3-[2-[4-(dimethylcarbamoyl)anilino]pyrimidin-4-yl]-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 24859527

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-[4-(propan-2-ylcarbamoyl)anilino]pyrimidin-4-yl]benzamide?
The IUPAC name of 2-methyl-3-[2-[4-(propan-2-ylcarbamoyl)anilino]pyrimidin-4-yl]benzamide (CID 68870589) is 2-methyl-3-[2-[4-(propan-2-ylcarbamoyl)anilino]pyrimidin-4-yl]benzamide.
What is the SMILES notation for 2-methyl-3-[2-[4-(propan-2-ylcarbamoyl)anilino]pyrimidin-4-yl]benzamide?
The canonical SMILES for 2-methyl-3-[2-[4-(propan-2-ylcarbamoyl)anilino]pyrimidin-4-yl]benzamide is Cc1c(C(N)=O)cccc1-c1ccnc(Nc2ccc(C(=O)NC(C)C)cc2)n1.
What is the InChIKey of 2-methyl-3-[2-[4-(propan-2-ylcarbamoyl)anilino]pyrimidin-4-yl]benzamide?
The InChIKey is BSWUNCRZGYDEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-13(2)25-21(29)15-7-9-16(10-8-15)26-22-24-12-11-19(27-22)17-5-4-6-18(14(17)3)20(23)28/h4-13H,1-3H3,(H2,23,28)(H,25,29)(H,24,26,27).
What are the key properties of 2-methyl-3-[2-[4-(propan-2-ylcarbamoyl)anilino]pyrimidin-4-yl]benzamide?
2-methyl-3-[2-[4-(propan-2-ylcarbamoyl)anilino]pyrimidin-4-yl]benzamide has a molecular weight of 389.46 g/mol, XLogP of 3.43, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-[4-(propan-2-ylcarbamoyl)anilino]pyrimidin-4-yl]benzamide is sourced from PubChem (CID 68870589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).