N-(7-tert-butyl-5-methylpyrrolo[2,3-d]pyrimidin-2-yl)-4-methylbenzamide

C19H22N4O — CID 143686382

IUPACN-(7-tert-butyl-5-methylpyrrolo[2,3-d]pyrimidin-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ncc3c(C)cn(C(C)(C)C)c3n2)cc1
InChIInChI=1S/C19H22N4O/c1-12-6-8-14(9-7-12)17(24)22-18-20-10-15-13(2)11-23(16(15)21-18)19(3,4)5/h6-11H,1-5H3,(H,20,21,22,24)
InChIKeyMRMBISLLNNMKLH-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.06
Rot. Bonds2

About N-(7-tert-butyl-5-methylpyrrolo[2,3-d]pyrimidin-2-yl)-4-methylbenzamide

N-(7-tert-butyl-5-methylpyrrolo[2,3-d]pyrimidin-2-yl)-4-methylbenzamide (PubChem CID 143686382) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(7-tert-butyl-5-methylpyrrolo[2,3-d]pyrimidin-2-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(7-tert-butyl-5-methylpyrrolo[2,3-d]pyrimidin-2-yl)-4-methylbenzamide
PubChem CID143686382
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-(7-tert-butyl-5-methylpyrrolo[2,3-d]pyrimidin-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ncc3c(C)cn(C(C)(C)C)c3n2)cc1
InChIInChI=1S/C19H22N4O/c1-12-6-8-14(9-7-12)17(24)22-18-20-10-15-13(2)11-23(16(15)21-18)19(3,4)5/h6-11H,1-5H3,(H,20,21,22,24)
InChIKeyMRMBISLLNNMKLH-UHFFFAOYSA-N
XLogP4.06
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-tert-butyl-N-(2-ethoxyethyl)-2-[(4-methylbenzoyl)amino]pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 68801106
N-[1-tert-butyl-3-(pyrrolidine-1-carbonyl)pyrrolo[2,3-b]pyridin-6-yl]-4-methylbenzamide
CID 69028594
N-butan-2-yl-1-tert-butyl-6-[(4-methylbenzoyl)amino]pyrrolo[2,3-b]pyridine-3-carboxamide
CID 68805971
1-tert-butyl-6-[(4-methylbenzoyl)amino]-N-(1-pyridin-3-ylethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 69026441
N-(2-ethoxyethyl)-2-[(4-ethylbenzoyl)amino]-7-(2-methylbutan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 69227076
2-(2-chloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-methylpropanoic acid;ethane
CID 144600600
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylbenzamide
CID 27046784
N-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylbenzamide
CID 3783171
4-tert-butyl-2-[(4-methylbenzoyl)amino]-N-pentylpyrrolo[2,3-d][1,3]thiazole-6-carboxamide
CID 59001405
2-methyl-2-[4-[(4-methylbenzoyl)amino]pyrazol-1-yl]propanoic acid
CID 120696431
1-tert-butyl-5-[(4-methylbenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
CID 59001206
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-4-methylbenzamide
CID 91969122

Frequently Asked Questions

What is the IUPAC name of N-(7-tert-butyl-5-methylpyrrolo[2,3-d]pyrimidin-2-yl)-4-methylbenzamide?
The IUPAC name of N-(7-tert-butyl-5-methylpyrrolo[2,3-d]pyrimidin-2-yl)-4-methylbenzamide (CID 143686382) is N-(7-tert-butyl-5-methylpyrrolo[2,3-d]pyrimidin-2-yl)-4-methylbenzamide.
What is the SMILES notation for N-(7-tert-butyl-5-methylpyrrolo[2,3-d]pyrimidin-2-yl)-4-methylbenzamide?
The canonical SMILES for N-(7-tert-butyl-5-methylpyrrolo[2,3-d]pyrimidin-2-yl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2ncc3c(C)cn(C(C)(C)C)c3n2)cc1.
What is the InChIKey of N-(7-tert-butyl-5-methylpyrrolo[2,3-d]pyrimidin-2-yl)-4-methylbenzamide?
The InChIKey is MRMBISLLNNMKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-12-6-8-14(9-7-12)17(24)22-18-20-10-15-13(2)11-23(16(15)21-18)19(3,4)5/h6-11H,1-5H3,(H,20,21,22,24).
What are the key properties of N-(7-tert-butyl-5-methylpyrrolo[2,3-d]pyrimidin-2-yl)-4-methylbenzamide?
N-(7-tert-butyl-5-methylpyrrolo[2,3-d]pyrimidin-2-yl)-4-methylbenzamide has a molecular weight of 322.41 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-tert-butyl-5-methylpyrrolo[2,3-d]pyrimidin-2-yl)-4-methylbenzamide is sourced from PubChem (CID 143686382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).