1-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3,6-dimethyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine

C21H29N5O3 — CID 45485064

IUPAC1-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3,6-dimethyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCCN(CCOC)c1nc(C)nc2c1c(C)nn2-c1ccc(OC)cc1OC
InChIInChI=1S/C21H29N5O3/c1-7-10-25(11-12-27-4)20-19-14(2)24-26(21(19)23-15(3)22-20)17-9-8-16(28-5)13-18(17)29-6/h8-9,13H,7,10-12H2,1-6H3
InChIKeyHYOOIXPPYXUKSR-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.31
Rot. Bonds9

About 1-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3,6-dimethyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine

1-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3,6-dimethyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 45485064) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3,6-dimethyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3,6-dimethyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID45485064
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC Name1-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3,6-dimethyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCCN(CCOC)c1nc(C)nc2c1c(C)nn2-c1ccc(OC)cc1OC
InChIInChI=1S/C21H29N5O3/c1-7-10-25(11-12-27-4)20-19-14(2)24-26(21(19)23-15(3)22-20)17-9-8-16(28-5)13-18(17)29-6/h8-9,13H,7,10-12H2,1-6H3
InChIKeyHYOOIXPPYXUKSR-UHFFFAOYSA-N
XLogP3.31
TPSA74.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3,6-dimethyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3,6-dimethyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine (CID 45485064) is 1-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3,6-dimethyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3,6-dimethyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3,6-dimethyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine is CCCN(CCOC)c1nc(C)nc2c1c(C)nn2-c1ccc(OC)cc1OC.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3,6-dimethyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is HYOOIXPPYXUKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-7-10-25(11-12-27-4)20-19-14(2)24-26(21(19)23-15(3)22-20)17-9-8-16(28-5)13-18(17)29-6/h8-9,13H,7,10-12H2,1-6H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3,6-dimethyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine?
1-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3,6-dimethyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 399.50 g/mol, XLogP of 3.31, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3,6-dimethyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 45485064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).