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

C21H29N5O2 — CID 45485040

IUPACN-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)-3,6-dimethyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCCN(CCOC)c1nc(C)nc2c1c(C)nn2-c1ccc(OC)cc1C
InChIInChI=1S/C21H29N5O2/c1-7-10-25(11-12-27-5)20-19-15(3)24-26(21(19)23-16(4)22-20)18-9-8-17(28-6)13-14(18)2/h8-9,13H,7,10-12H2,1-6H3
InChIKeyDXVNLEPWBPMCOF-UHFFFAOYSA-N
MW383.50 g/mol
LogP3.61
Rot. Bonds8

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

N-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)-3,6-dimethyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 45485040) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)-3,6-dimethyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)-3,6-dimethyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID45485040
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC NameN-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)-3,6-dimethyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCCN(CCOC)c1nc(C)nc2c1c(C)nn2-c1ccc(OC)cc1C
InChIInChI=1S/C21H29N5O2/c1-7-10-25(11-12-27-5)20-19-15(3)24-26(21(19)23-16(4)22-20)18-9-8-17(28-6)13-14(18)2/h8-9,13H,7,10-12H2,1-6H3
InChIKeyDXVNLEPWBPMCOF-UHFFFAOYSA-N
XLogP3.61
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)-3,6-dimethyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)-3,6-dimethyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine (CID 45485040) is N-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)-3,6-dimethyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)-3,6-dimethyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)-3,6-dimethyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine is CCCN(CCOC)c1nc(C)nc2c1c(C)nn2-c1ccc(OC)cc1C.
What is the InChIKey of N-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)-3,6-dimethyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is DXVNLEPWBPMCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-7-10-25(11-12-27-5)20-19-15(3)24-26(21(19)23-16(4)22-20)18-9-8-17(28-6)13-14(18)2/h8-9,13H,7,10-12H2,1-6H3.
What are the key properties of N-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)-3,6-dimethyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine?
N-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)-3,6-dimethyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 383.50 g/mol, XLogP of 3.61, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)-3,6-dimethyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 45485040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).