4-(fluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine

C7H6FN3 — CID 142574981

IUPAC4-(fluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESFCc1ncnc2[nH]ccc12
InChIInChI=1S/C7H6FN3/c8-3-6-5-1-2-9-7(5)11-4-10-6/h1-2,4H,3H2,(H,9,10,11)
InChIKeyGHPSJEZJOUMLOT-UHFFFAOYSA-N
MW151.14 g/mol
LogP1.43
Rot. Bonds1

About 4-(fluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine

4-(fluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 142574981) has the molecular formula C7H6FN3 and a molecular weight of 151.14 g/mol. Its IUPAC name is 4-(fluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(fluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID142574981
Molecular FormulaC7H6FN3
Molecular Weight151.14 g/mol
Exact Mass151.05
IUPAC Name4-(fluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESFCc1ncnc2[nH]ccc12
InChIInChI=1S/C7H6FN3/c8-3-6-5-1-2-9-7(5)11-4-10-6/h1-2,4H,3H2,(H,9,10,11)
InChIKeyGHPSJEZJOUMLOT-UHFFFAOYSA-N
XLogP1.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.14
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(chloromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 172694459
4-fluoro-7H-pyrrolo[2,3-d]pyrimidine
CID 77134589
7H-pyrrolo[2,3-d]pyrimidine-4-thiolate
CID 59609036
7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride
CID 22736352
N-prop-2-enyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 76848839
N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175758651
N-[(5-fluoro-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 171679362
4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)but-3-yn-1-ol
CID 122242422
N',N'-dimethyl-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 76848852
4-[3-(2,2-difluoroethyl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 138000891
4-prop-1-enyl-7H-pyrrolo[2,3-d]pyrimidine
CID 73037755
4-(2-fluoro-5-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 56723622

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-(fluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine (CID 142574981) is 4-(fluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-(fluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-(fluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine is FCc1ncnc2[nH]ccc12.
What is the InChIKey of 4-(fluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is GHPSJEZJOUMLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN3/c8-3-6-5-1-2-9-7(5)11-4-10-6/h1-2,4H,3H2,(H,9,10,11).
What are the key properties of 4-(fluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine?
4-(fluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 151.14 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 142574981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).