2-chloro-6-cyclopropyl-7-(6-methoxy-2-pyridinyl)pyrrolo[2,3-d]pyrimidine

C15H13ClN4O — CID 155146957

IUPAC2-chloro-6-cyclopropyl-7-(6-methoxy-2-pyridinyl)pyrrolo[2,3-d]pyrimidine
SMILESCOc1cccc(-n2c(C3CC3)cc3cnc(Cl)nc32)n1
InChIInChI=1S/C15H13ClN4O/c1-21-13-4-2-3-12(18-13)20-11(9-5-6-9)7-10-8-17-15(16)19-14(10)20/h2-4,7-9H,5-6H2,1H3
InChIKeyCCICYMRVDUSWQB-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.35
Rot. Bonds3

About 2-chloro-6-cyclopropyl-7-(6-methoxy-2-pyridinyl)pyrrolo[2,3-d]pyrimidine

2-chloro-6-cyclopropyl-7-(6-methoxy-2-pyridinyl)pyrrolo[2,3-d]pyrimidine (PubChem CID 155146957) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is 2-chloro-6-cyclopropyl-7-(6-methoxy-2-pyridinyl)pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-6-cyclopropyl-7-(6-methoxy-2-pyridinyl)pyrrolo[2,3-d]pyrimidine
PubChem CID155146957
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC Name2-chloro-6-cyclopropyl-7-(6-methoxy-2-pyridinyl)pyrrolo[2,3-d]pyrimidine
SMILESCOc1cccc(-n2c(C3CC3)cc3cnc(Cl)nc32)n1
InChIInChI=1S/C15H13ClN4O/c1-21-13-4-2-3-12(18-13)20-11(9-5-6-9)7-10-8-17-15(16)19-14(10)20/h2-4,7-9H,5-6H2,1H3
InChIKeyCCICYMRVDUSWQB-UHFFFAOYSA-N
XLogP3.35
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-6-cyclopropyl-5-fluoro-7-[6-(2-methylpropyl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidine
CID 155146990
2-(3-chloropyrrolidin-1-yl)-6-methoxypyridine
CID 63587814
2-[6-(2-chloro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)-2-pyridinyl]propan-2-ol
CID 155147006
2-chloro-7-cyclopentyl-6-methylpyrrolo[2,3-d]pyrimidine
CID 84819779
1-(6-methoxy-2-pyridinyl)-N-methylpiperidin-4-amine
CID 63591617
2-chloro-6-(4-chlorophenyl)-7-cyclopentylpyrrolo[2,3-d]pyrimidine
CID 122372650
[6-(2-chloro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane
CID 155161161
1-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]ethanol
CID 106837299
1-(6-methoxy-2-pyridinyl)-2-methylbenzimidazole
CID 79754204
2-methoxy-6-(4-methylidenepiperidin-1-yl)pyridine
CID 175648058
2-chloro-6-(2,6-dichlorophenyl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 169188467
2-chloro-7-cyclohexyl-6-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidine
CID 177186493

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-cyclopropyl-7-(6-methoxy-2-pyridinyl)pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-6-cyclopropyl-7-(6-methoxy-2-pyridinyl)pyrrolo[2,3-d]pyrimidine (CID 155146957) is 2-chloro-6-cyclopropyl-7-(6-methoxy-2-pyridinyl)pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-6-cyclopropyl-7-(6-methoxy-2-pyridinyl)pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-6-cyclopropyl-7-(6-methoxy-2-pyridinyl)pyrrolo[2,3-d]pyrimidine is COc1cccc(-n2c(C3CC3)cc3cnc(Cl)nc32)n1.
What is the InChIKey of 2-chloro-6-cyclopropyl-7-(6-methoxy-2-pyridinyl)pyrrolo[2,3-d]pyrimidine?
The InChIKey is CCICYMRVDUSWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c1-21-13-4-2-3-12(18-13)20-11(9-5-6-9)7-10-8-17-15(16)19-14(10)20/h2-4,7-9H,5-6H2,1H3.
What are the key properties of 2-chloro-6-cyclopropyl-7-(6-methoxy-2-pyridinyl)pyrrolo[2,3-d]pyrimidine?
2-chloro-6-cyclopropyl-7-(6-methoxy-2-pyridinyl)pyrrolo[2,3-d]pyrimidine has a molecular weight of 300.75 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-cyclopropyl-7-(6-methoxy-2-pyridinyl)pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 155146957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).