N-ethyl-3,6-dimethyl-N-propyl-1-(2,4,6-trichlorophenyl)pyrazolo[5,4-d]pyrimidin-4-amine

C18H20Cl3N5 — CID 10158618

IUPACN-ethyl-3,6-dimethyl-N-propyl-1-(2,4,6-trichlorophenyl)pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCCN(CC)c1nc(C)nc2c1c(C)nn2-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C18H20Cl3N5/c1-5-7-25(6-2)17-15-10(3)24-26(18(15)23-11(4)22-17)16-13(20)8-12(19)9-14(16)21/h8-9H,5-7H2,1-4H3
InChIKeyFYMVMQFQSNVIBO-UHFFFAOYSA-N
MW412.75 g/mol
LogP5.63
Rot. Bonds5

About N-ethyl-3,6-dimethyl-N-propyl-1-(2,4,6-trichlorophenyl)pyrazolo[5,4-d]pyrimidin-4-amine

N-ethyl-3,6-dimethyl-N-propyl-1-(2,4,6-trichlorophenyl)pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 10158618) has the molecular formula C18H20Cl3N5 and a molecular weight of 412.75 g/mol. Its IUPAC name is N-ethyl-3,6-dimethyl-N-propyl-1-(2,4,6-trichlorophenyl)pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-3,6-dimethyl-N-propyl-1-(2,4,6-trichlorophenyl)pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID10158618
Molecular FormulaC18H20Cl3N5
Molecular Weight412.75 g/mol
Exact Mass411.08
IUPAC NameN-ethyl-3,6-dimethyl-N-propyl-1-(2,4,6-trichlorophenyl)pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCCN(CC)c1nc(C)nc2c1c(C)nn2-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C18H20Cl3N5/c1-5-7-25(6-2)17-15-10(3)24-26(18(15)23-11(4)22-17)16-13(20)8-12(19)9-14(16)21/h8-9H,5-7H2,1-4H3
InChIKeyFYMVMQFQSNVIBO-UHFFFAOYSA-N
XLogP5.63
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.75
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,6-dimethyl-N-propyl-1-(2,4,6-trichlorophenyl)pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-3,6-dimethyl-N-propyl-1-(2,4,6-trichlorophenyl)pyrazolo[5,4-d]pyrimidin-4-amine (CID 10158618) is N-ethyl-3,6-dimethyl-N-propyl-1-(2,4,6-trichlorophenyl)pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-3,6-dimethyl-N-propyl-1-(2,4,6-trichlorophenyl)pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-3,6-dimethyl-N-propyl-1-(2,4,6-trichlorophenyl)pyrazolo[5,4-d]pyrimidin-4-amine is CCCN(CC)c1nc(C)nc2c1c(C)nn2-c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of N-ethyl-3,6-dimethyl-N-propyl-1-(2,4,6-trichlorophenyl)pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is FYMVMQFQSNVIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl3N5/c1-5-7-25(6-2)17-15-10(3)24-26(18(15)23-11(4)22-17)16-13(20)8-12(19)9-14(16)21/h8-9H,5-7H2,1-4H3.
What are the key properties of N-ethyl-3,6-dimethyl-N-propyl-1-(2,4,6-trichlorophenyl)pyrazolo[5,4-d]pyrimidin-4-amine?
N-ethyl-3,6-dimethyl-N-propyl-1-(2,4,6-trichlorophenyl)pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 412.75 g/mol, XLogP of 5.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,6-dimethyl-N-propyl-1-(2,4,6-trichlorophenyl)pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 10158618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).