2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide

C20H17N5O — CID 110431153

IUPAC2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide
SMILESCc1cc2c(Nc3ccccc3C(N)=O)nc(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C20H17N5O/c1-12-11-15-19(22-12)24-18(13-7-3-2-4-8-13)25-20(15)23-16-10-6-5-9-14(16)17(21)26/h2-11H,1H3,(H2,21,26)(H2,22,23,24,25)
InChIKeyCIQBPSMHMVCASH-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.78
Rot. Bonds4

About 2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide

2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide (PubChem CID 110431153) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide.

Molecular Properties

Compound Name2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide
PubChem CID110431153
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide
SMILESCc1cc2c(Nc3ccccc3C(N)=O)nc(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C20H17N5O/c1-12-11-15-19(22-12)24-18(13-7-3-2-4-8-13)25-20(15)23-16-10-6-5-9-14(16)17(21)26/h2-11H,1H3,(H2,21,26)(H2,22,23,24,25)
InChIKeyCIQBPSMHMVCASH-UHFFFAOYSA-N
XLogP3.78
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenol
CID 110431245
N-(5-chloro-2-methylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110431209
N-(2,6-difluorophenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110431076
N-(4-ethylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430982
2-[(6-hydroxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
CID 67297950
2-[[6-methoxy-2-(6-methyl-3-pyridinyl)quinazolin-4-yl]amino]benzamide
CID 53303494
2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]hexanoic acid
CID 110431099
2-[(8-methoxy-6-methyl-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
CID 144501322
2-[(6-methoxy-2-pyridazin-4-ylquinazolin-4-yl)amino]benzamide
CID 71274504
2,6-dimethyl-N-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430273
2-[(6-ethoxy-2-pyrimidin-5-ylquinazolin-4-yl)amino]benzamide
CID 71180705
N-(2-methoxyethyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430534

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide?
The IUPAC name of 2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide (CID 110431153) is 2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide.
What is the SMILES notation for 2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide?
The canonical SMILES for 2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide is Cc1cc2c(Nc3ccccc3C(N)=O)nc(-c3ccccc3)nc2[nH]1.
What is the InChIKey of 2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide?
The InChIKey is CIQBPSMHMVCASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-12-11-15-19(22-12)24-18(13-7-3-2-4-8-13)25-20(15)23-16-10-6-5-9-14(16)17(21)26/h2-11H,1H3,(H2,21,26)(H2,22,23,24,25).
What are the key properties of 2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide?
2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide has a molecular weight of 343.39 g/mol, XLogP of 3.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide is sourced from PubChem (CID 110431153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).