N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C13H11ClFN5 — CID 133431087

IUPACN-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCN(Cc1ccc(Cl)c(F)c1)c1ncnc2[nH]ncc12
InChIInChI=1S/C13H11ClFN5/c1-20(6-8-2-3-10(14)11(15)4-8)13-9-5-18-19-12(9)16-7-17-13/h2-5,7H,6H2,1H3,(H,16,17,18,19)
InChIKeyFBUPDUJXTGQGCH-UHFFFAOYSA-N
MW291.72 g/mol
LogP2.78
Rot. Bonds3

About N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 133431087) has the molecular formula C13H11ClFN5 and a molecular weight of 291.72 g/mol. Its IUPAC name is N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID133431087
Molecular FormulaC13H11ClFN5
Molecular Weight291.72 g/mol
Exact Mass291.07
IUPAC NameN-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCN(Cc1ccc(Cl)c(F)c1)c1ncnc2[nH]ncc12
InChIInChI=1S/C13H11ClFN5/c1-20(6-8-2-3-10(14)11(15)4-8)13-9-5-18-19-12(9)16-7-17-13/h2-5,7H,6H2,1H3,(H,16,17,18,19)
InChIKeyFBUPDUJXTGQGCH-UHFFFAOYSA-N
XLogP2.78
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.72
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(4-chloro-3-fluorophenyl)methyl]-4-N-methyl-6-pyrazol-1-ylpyrimidine-4,5-diamine
CID 133431082
methyl 2-[4-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyrazolo[5,4-d]pyrimidin-1-yl]acetate
CID 133431118
N-[(3,4-dichlorophenyl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 9195393
N-methyl-N-(2-methylpropyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133276812
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 99782514
1-(4-chloro-3-fluorophenyl)-N-methoxy-N-methylmethanamine
CID 131177038
6-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyridine-3-carbonitrile
CID 133431107
N-[(4-fluorophenyl)methyl]-N-methyl-6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-amine
CID 137366863
N'-[(4-chloro-3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 62680595
2-methyl-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]propanoic acid
CID 122064944
N-[2-(1H-imidazol-5-yl)ethyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 167952507
N-benzyl-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133383867

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 133431087) is N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine is CN(Cc1ccc(Cl)c(F)c1)c1ncnc2[nH]ncc12.
What is the InChIKey of N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is FBUPDUJXTGQGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN5/c1-20(6-8-2-3-10(14)11(15)4-8)13-9-5-18-19-12(9)16-7-17-13/h2-5,7H,6H2,1H3,(H,16,17,18,19).
What are the key properties of N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 291.72 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 133431087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).