2-[6-(2-methylpropyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidine

C15H16N4 — CID 164793781

IUPAC2-[6-(2-methylpropyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCC(C)Cc1cccc(-c2ncc3cc[nH]c3n2)n1
InChIInChI=1S/C15H16N4/c1-10(2)8-12-4-3-5-13(18-12)15-17-9-11-6-7-16-14(11)19-15/h3-7,9-10H,8H2,1-2H3,(H,16,17,19)
InChIKeyRZMSQIFFZCJYQJ-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.22
Rot. Bonds3

About 2-[6-(2-methylpropyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidine

2-[6-(2-methylpropyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 164793781) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[6-(2-methylpropyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-[6-(2-methylpropyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID164793781
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name2-[6-(2-methylpropyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCC(C)Cc1cccc(-c2ncc3cc[nH]c3n2)n1
InChIInChI=1S/C15H16N4/c1-10(2)8-12-4-3-5-13(18-12)15-17-9-11-6-7-16-14(11)19-15/h3-7,9-10H,8H2,1-2H3,(H,16,17,19)
InChIKeyRZMSQIFFZCJYQJ-UHFFFAOYSA-N
XLogP3.22
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[6-(2-methylpropyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine
CID 54126427
2-methyl-6-(7H-pyrrolo[2,3-d]pyrimidin-2-yl)imidazo[1,2-b]pyridazine
CID 175879601
2-ethyl-6-[3-(2-methylpropyl)phenyl]pyridine
CID 71277362
6-(2-methylbutyl)-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen
CID 143324121
2-(2,2-dimethylpropyl)-6-(2-methylpropyl)pyridine
CID 138721694
N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 118207021
1-methyl-2-(2-methylphenyl)-4-[6-(2-methylpropyl)-2-pyridinyl]pyridin-1-ium
CID 123166684
2-(2-methylpropyl)-6-[(2R)-oxan-2-yl]pyridine
CID 159971085
N-(1-pyrazin-2-ylpropan-2-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56886252
ethane;2-ethyl-6-(6-ethyl-2-pyridinyl)pyridine
CID 164534151
2-prop-2-enyl-7H-pyrrolo[2,3-d]pyrimidine
CID 138608442
5-(2-methylpropyl)-1H-imidazo[4,5-b]pyridine
CID 130420830

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-methylpropyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2-[6-(2-methylpropyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidine (CID 164793781) is 2-[6-(2-methylpropyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2-[6-(2-methylpropyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2-[6-(2-methylpropyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidine is CC(C)Cc1cccc(-c2ncc3cc[nH]c3n2)n1.
What is the InChIKey of 2-[6-(2-methylpropyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is RZMSQIFFZCJYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-10(2)8-12-4-3-5-13(18-12)15-17-9-11-6-7-16-14(11)19-15/h3-7,9-10H,8H2,1-2H3,(H,16,17,19).
What are the key properties of 2-[6-(2-methylpropyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidine?
2-[6-(2-methylpropyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 252.32 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-methylpropyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 164793781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).