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

C13H9ClF2N4 — CID 166257712

IUPAC2-chloro-N-[(3,4-difluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESFc1ccc(CNc2nc(Cl)nc3[nH]ccc23)cc1F
InChIInChI=1S/C13H9ClF2N4/c14-13-19-11-8(3-4-17-11)12(20-13)18-6-7-1-2-9(15)10(16)5-7/h1-5H,6H2,(H2,17,18,19,20)
InChIKeyOUXARAJDZXSSDG-UHFFFAOYSA-N
MW294.69 g/mol
LogP3.50
Rot. Bonds3

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

2-chloro-N-[(3,4-difluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 166257712) has the molecular formula C13H9ClF2N4 and a molecular weight of 294.69 g/mol. Its IUPAC name is 2-chloro-N-[(3,4-difluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(3,4-difluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID166257712
Molecular FormulaC13H9ClF2N4
Molecular Weight294.69 g/mol
Exact Mass294.05
IUPAC Name2-chloro-N-[(3,4-difluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESFc1ccc(CNc2nc(Cl)nc3[nH]ccc23)cc1F
InChIInChI=1S/C13H9ClF2N4/c14-13-19-11-8(3-4-17-11)12(20-13)18-6-7-1-2-9(15)10(16)5-7/h1-5H,6H2,(H2,17,18,19,20)
InChIKeyOUXARAJDZXSSDG-UHFFFAOYSA-N
XLogP3.50
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.69
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166257730
3,6-dichloro-N-[(3,4-difluorophenyl)methyl]-1,2,4-triazin-5-amine
CID 81036342
2-chloro-N-[(3,4-difluorophenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321095
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166257711
2-chloro-N-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 89366731
N'-(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)butane-1,4-diamine
CID 86636617
2-chloro-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167947731
2-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166257719
3,5,6-trichloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine
CID 102750719
6-chloro-2-N-[(3,4-difluorophenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80804623
6-chloro-2-N-[(3,4-difluorophenyl)methyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80804455
5-chloro-4-N-[(3,4-difluorophenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80805633

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3,4-difluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[(3,4-difluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 166257712) is 2-chloro-N-[(3,4-difluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[(3,4-difluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[(3,4-difluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Fc1ccc(CNc2nc(Cl)nc3[nH]ccc23)cc1F.
What is the InChIKey of 2-chloro-N-[(3,4-difluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is OUXARAJDZXSSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2N4/c14-13-19-11-8(3-4-17-11)12(20-13)18-6-7-1-2-9(15)10(16)5-7/h1-5H,6H2,(H2,17,18,19,20).
What are the key properties of 2-chloro-N-[(3,4-difluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
2-chloro-N-[(3,4-difluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 294.69 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3,4-difluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 166257712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).