7-methyl-4-phenylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid

C14H11N3O2 — CID 82375479

IUPAC7-methyl-4-phenylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid
SMILESCn1c(C(=O)O)cc2c(-c3ccccc3)ncnc21
InChIInChI=1S/C14H11N3O2/c1-17-11(14(18)19)7-10-12(15-8-16-13(10)17)9-5-3-2-4-6-9/h2-8H,1H3,(H,18,19)
InChIKeyQXPOXPUHVVLAQS-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.33
Rot. Bonds2

About 7-methyl-4-phenylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid

7-methyl-4-phenylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 82375479) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 7-methyl-4-phenylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name7-methyl-4-phenylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID82375479
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name7-methyl-4-phenylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid
SMILESCn1c(C(=O)O)cc2c(-c3ccccc3)ncnc21
InChIInChI=1S/C14H11N3O2/c1-17-11(14(18)19)7-10-12(15-8-16-13(10)17)9-5-3-2-4-6-9/h2-8H,1H3,(H,18,19)
InChIKeyQXPOXPUHVVLAQS-UHFFFAOYSA-N
XLogP2.33
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-dimethylphosphoryl-7-methyl-4-phenylpyrrolo[2,3-d]pyrimidine
CID 168867616
4-cyclopentyl-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 82375478
4,7-dimethyl-6-phenylpyrrolo[2,3-d]pyrimidine
CID 144850967
(7-methyl-4-phenylpyrrolo[2,3-d]pyrimidin-5-yl) acetate
CID 154631955
(3,4-dimethoxyphenyl)-(4-phenylquinazolin-7-yl)methanone
CID 177390054
1-methyl-7-phenylindole-2-carboxylic acid
CID 171663138
5-fluoro-6-phenylpyrimidine-4-carboxamide
CID 90954471
1-methyl-4-(2-phenylpyrimidin-5-yl)pyrrole-2-carboxylic acid
CID 121229531
4-amino-1-methylindole-2-carboxylic acid
CID 84771435
1,1-dimethyl-2-(7-methyl-6-phenylpyrrolo[2,3-d]pyrimidin-4-yl)hydrazine
CID 122208510
1,3-diphenylpyrazolo[5,4-b]pyridine-5-carboxylic acid
CID 16778556
ethyl 4-chloro-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylate
CID 122129786

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-phenylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 7-methyl-4-phenylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid (CID 82375479) is 7-methyl-4-phenylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 7-methyl-4-phenylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 7-methyl-4-phenylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid is Cn1c(C(=O)O)cc2c(-c3ccccc3)ncnc21.
What is the InChIKey of 7-methyl-4-phenylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is QXPOXPUHVVLAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-17-11(14(18)19)7-10-12(15-8-16-13(10)17)9-5-3-2-4-6-9/h2-8H,1H3,(H,18,19).
What are the key properties of 7-methyl-4-phenylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid?
7-methyl-4-phenylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-phenylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 82375479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).