4-(2-chloro-5-fluoropyrimidin-4-yl)-7-cyclopentyl-6-methylpyrrolo[2,3-d]pyrimidine

C16H15ClFN5 — CID 137497353

IUPAC4-(2-chloro-5-fluoropyrimidin-4-yl)-7-cyclopentyl-6-methylpyrrolo[2,3-d]pyrimidine
SMILESCc1cc2c(-c3nc(Cl)ncc3F)ncnc2n1C1CCCC1
InChIInChI=1S/C16H15ClFN5/c1-9-6-11-13(14-12(18)7-19-16(17)22-14)20-8-21-15(11)23(9)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3
InChIKeyOQYHBDSJPBLVND-UHFFFAOYSA-N
MW331.78 g/mol
LogP4.10
Rot. Bonds2

About 4-(2-chloro-5-fluoropyrimidin-4-yl)-7-cyclopentyl-6-methylpyrrolo[2,3-d]pyrimidine

4-(2-chloro-5-fluoropyrimidin-4-yl)-7-cyclopentyl-6-methylpyrrolo[2,3-d]pyrimidine (PubChem CID 137497353) has the molecular formula C16H15ClFN5 and a molecular weight of 331.78 g/mol. Its IUPAC name is 4-(2-chloro-5-fluoropyrimidin-4-yl)-7-cyclopentyl-6-methylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2-chloro-5-fluoropyrimidin-4-yl)-7-cyclopentyl-6-methylpyrrolo[2,3-d]pyrimidine
PubChem CID137497353
Molecular FormulaC16H15ClFN5
Molecular Weight331.78 g/mol
Exact Mass331.10
IUPAC Name4-(2-chloro-5-fluoropyrimidin-4-yl)-7-cyclopentyl-6-methylpyrrolo[2,3-d]pyrimidine
SMILESCc1cc2c(-c3nc(Cl)ncc3F)ncnc2n1C1CCCC1
InChIInChI=1S/C16H15ClFN5/c1-9-6-11-13(14-12(18)7-19-16(17)22-14)20-8-21-15(11)23(9)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3
InChIKeyOQYHBDSJPBLVND-UHFFFAOYSA-N
XLogP4.10
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.78
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-7-cyclopentyl-6-methylpyrrolo[2,3-d]pyrimidine
CID 84819779
5-(2-chloro-5-fluoropyrimidin-4-yl)-3-cyclopentyl-2,6-dimethylthieno[2,3-d]imidazole
CID 164709946
2-chloro-4-(1-cyclohexyltriazol-4-yl)-5-fluoropyrimidine
CID 162719985
2,8-dichloro-9-cyclopentylpurine
CID 54445306
6-(2-chloro-5-fluoropyrimidin-4-yl)-4-cyclobutyl-8-fluoro-2,3-dihydro-1,4-benzoxazine
CID 139390078
2-chloro-6-(4-chlorophenyl)-7-cyclopentylpyrrolo[2,3-d]pyrimidine
CID 122372650
7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
CID 129102619
2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 58315427
7-[2-[3-(4-amino-6-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-3-chloro-5-fluoroquinolin-2-amine
CID 167150421
2-chloro-7-cyclohexyl-6-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidine
CID 177186493
2-chloro-5-fluoro-4-[1-(oxetan-3-yl)pyrazol-4-yl]pyrimidine
CID 171627470
2-chloro-4-(5-cyclopropyl-3-pyridinyl)-5-fluoropyrimidine
CID 58876902

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-fluoropyrimidin-4-yl)-7-cyclopentyl-6-methylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-(2-chloro-5-fluoropyrimidin-4-yl)-7-cyclopentyl-6-methylpyrrolo[2,3-d]pyrimidine (CID 137497353) is 4-(2-chloro-5-fluoropyrimidin-4-yl)-7-cyclopentyl-6-methylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-(2-chloro-5-fluoropyrimidin-4-yl)-7-cyclopentyl-6-methylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-(2-chloro-5-fluoropyrimidin-4-yl)-7-cyclopentyl-6-methylpyrrolo[2,3-d]pyrimidine is Cc1cc2c(-c3nc(Cl)ncc3F)ncnc2n1C1CCCC1.
What is the InChIKey of 4-(2-chloro-5-fluoropyrimidin-4-yl)-7-cyclopentyl-6-methylpyrrolo[2,3-d]pyrimidine?
The InChIKey is OQYHBDSJPBLVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN5/c1-9-6-11-13(14-12(18)7-19-16(17)22-14)20-8-21-15(11)23(9)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3.
What are the key properties of 4-(2-chloro-5-fluoropyrimidin-4-yl)-7-cyclopentyl-6-methylpyrrolo[2,3-d]pyrimidine?
4-(2-chloro-5-fluoropyrimidin-4-yl)-7-cyclopentyl-6-methylpyrrolo[2,3-d]pyrimidine has a molecular weight of 331.78 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-fluoropyrimidin-4-yl)-7-cyclopentyl-6-methylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 137497353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).