2-[(2-fluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride

C13H12ClFN4 — CID 175868327

IUPAC2-[(2-fluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESCl.Nc1nc(Cc2ccccc2F)nc2[nH]ccc12
InChIInChI=1S/C13H11FN4.ClH/c14-10-4-2-1-3-8(10)7-11-17-12(15)9-5-6-16-13(9)18-11;/h1-6H,7H2,(H3,15,16,17,18);1H
InChIKeyIWHOTENBEGHJAG-UHFFFAOYSA-N
MW278.72 g/mol
LogP2.69
Rot. Bonds2

About 2-[(2-fluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride

2-[(2-fluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride (PubChem CID 175868327) has the molecular formula C13H12ClFN4 and a molecular weight of 278.72 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
PubChem CID175868327
Molecular FormulaC13H12ClFN4
Molecular Weight278.72 g/mol
Exact Mass278.07
IUPAC Name2-[(2-fluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESCl.Nc1nc(Cc2ccccc2F)nc2[nH]ccc12
InChIInChI=1S/C13H11FN4.ClH/c14-10-4-2-1-3-8(10)7-11-17-12(15)9-5-6-16-13(9)18-11;/h1-6H,7H2,(H3,15,16,17,18);1H
InChIKeyIWHOTENBEGHJAG-UHFFFAOYSA-N
XLogP2.69
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.72
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,6-difluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 135336170
5-fluoro-2-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-amine
CID 66000568
2-(1,3-thiazol-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 175868302
5-bromo-2-[(2-fluorophenyl)methyl]pyrimidin-4-amine
CID 66301820
2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 71122482
2-[(2-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 61025722
2-[(2-fluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 62192800
2-[(2-fluorophenyl)methyl]aniline
CID 21497428
4-amino-7H-pyrrolo[2,3-d]pyrimidine-2-sulfonic acid
CID 73012701
2-[3-[(2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]butane-2,3-diamine
CID 90791333
[2-[(2-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine
CID 63351433
4-chloro-2-[(2-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63350942

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride (CID 175868327) is 2-[(2-fluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride is Cl.Nc1nc(Cc2ccccc2F)nc2[nH]ccc12.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is IWHOTENBEGHJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4.ClH/c14-10-4-2-1-3-8(10)7-11-17-12(15)9-5-6-16-13(9)18-11;/h1-6H,7H2,(H3,15,16,17,18);1H.
What are the key properties of 2-[(2-fluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride?
2-[(2-fluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 278.72 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 175868327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).