2-[(2,6-difluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C13H10F2N4 — CID 135336170

IUPAC2-[(2,6-difluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1nc(Cc2c(F)cccc2F)nc2[nH]ccc12
InChIInChI=1S/C13H10F2N4/c14-9-2-1-3-10(15)8(9)6-11-18-12(16)7-4-5-17-13(7)19-11/h1-5H,6H2,(H3,16,17,18,19)
InChIKeyZNQMBEYGJGMMGO-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.41
Rot. Bonds2

About 2-[(2,6-difluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

2-[(2,6-difluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 135336170) has the molecular formula C13H10F2N4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-[(2,6-difluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2,6-difluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID135336170
Molecular FormulaC13H10F2N4
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name2-[(2,6-difluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1nc(Cc2c(F)cccc2F)nc2[nH]ccc12
InChIInChI=1S/C13H10F2N4/c14-9-2-1-3-10(15)8(9)6-11-18-12(16)7-4-5-17-13(7)19-11/h1-5H,6H2,(H3,16,17,18,19)
InChIKeyZNQMBEYGJGMMGO-UHFFFAOYSA-N
XLogP2.41
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-fluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175868327
2-(pyridin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 135336159
2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 71122482
2-[(2,6-difluorophenyl)methyl]-1,3-difluorobenzene
CID 15013079
4-amino-7H-pyrrolo[2,3-d]pyrimidine-2-sulfonic acid
CID 73012701
2-[(2,6-difluorophenyl)methyl]-N,N-dimethyl-7H-purin-6-amine
CID 70491805
5-fluoro-2-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-amine
CID 66000568
2-amino-6-[(2,6-difluorophenyl)methyl]-1H-1,3,5-triazine-4-thione
CID 83240431
7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride
CID 22736352
2-N-[(Z)-1-amino-2-fluoro-2-hydrazinylethenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 145336818
2-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-amine
CID 63023707
6-[(2,6-difluorophenyl)methyl]-5-nitropyrimidine-2,4-diamine
CID 91601885

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(2,6-difluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 135336170) is 2-[(2,6-difluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(2,6-difluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(2,6-difluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Nc1nc(Cc2c(F)cccc2F)nc2[nH]ccc12.
What is the InChIKey of 2-[(2,6-difluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is ZNQMBEYGJGMMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N4/c14-9-2-1-3-10(15)8(9)6-11-18-12(16)7-4-5-17-13(7)19-11/h1-5H,6H2,(H3,16,17,18,19).
What are the key properties of 2-[(2,6-difluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
2-[(2,6-difluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 260.25 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 135336170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).