5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-amine

C14H12Cl3N5 — CID 176979256

IUPAC5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-amine
SMILESCC(Nc1nc(Cl)nc2cn(C)nc12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H12Cl3N5/c1-7(9-4-3-8(15)5-10(9)16)18-13-12-11(6-22(2)21-12)19-14(17)20-13/h3-7H,1-2H3,(H,18,19,20)
InChIKeyCHONXVXNGAOZIY-UHFFFAOYSA-N
MW356.64 g/mol
LogP4.50
Rot. Bonds3

About 5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-amine

5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 176979256) has the molecular formula C14H12Cl3N5 and a molecular weight of 356.64 g/mol. Its IUPAC name is 5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID176979256
Molecular FormulaC14H12Cl3N5
Molecular Weight356.64 g/mol
Exact Mass355.02
IUPAC Name5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-amine
SMILESCC(Nc1nc(Cl)nc2cn(C)nc12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H12Cl3N5/c1-7(9-4-3-8(15)5-10(9)16)18-13-12-11(6-22(2)21-12)19-14(17)20-13/h3-7H,1-2H3,(H,18,19,20)
InChIKeyCHONXVXNGAOZIY-UHFFFAOYSA-N
XLogP4.50
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.64
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,2,4-triazin-5-amine
CID 81037751
N-[1-(2,4-dichlorophenyl)ethyl]-1-methylimidazo[4,5-c]pyridin-4-amine
CID 103385330
5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,3-benzothiazol-2-amine
CID 43306407
2-chloro-4-N-[1-(2,4-dichlorophenyl)ethyl]-6-(methyliminomethyl)pyrimidine-4,5-diamine
CID 176979189
5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 167565538
6-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 62481913
5-chloro-4-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 164838647
6-chloro-4-N-[1-(2,4-dichlorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62869021
N-[1-(2,4-dichlorophenyl)ethyl]-3,5-difluoropyridin-2-amine
CID 112675534
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-1-methyltetrazol-5-amine
CID 167808600
N-[1-(2,4-dichlorophenyl)ethyl]quinazolin-4-amine
CID 60677573
4-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80765341

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-amine (CID 176979256) is 5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-amine is CC(Nc1nc(Cl)nc2cn(C)nc12)c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is CHONXVXNGAOZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3N5/c1-7(9-4-3-8(15)5-10(9)16)18-13-12-11(6-22(2)21-12)19-14(17)20-13/h3-7H,1-2H3,(H,18,19,20).
What are the key properties of 5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-amine?
5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-amine has a molecular weight of 356.64 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 176979256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).