5-N-(4-aminocyclohexyl)-6-methyl-7-N-(4-propoxyphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine

C22H30N6O — CID 68827442

IUPAC5-N-(4-aminocyclohexyl)-6-methyl-7-N-(4-propoxyphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
SMILESCCCOc1ccc(Nc2c(C)c(NC3CCC(N)CC3)nc3ccnn23)cc1
InChIInChI=1S/C22H30N6O/c1-3-14-29-19-10-8-18(9-11-19)26-22-15(2)21(27-20-12-13-24-28(20)22)25-17-6-4-16(23)5-7-17/h8-13,16-17,26H,3-7,14,23H2,1-2H3,(H,25,27)
InChIKeySCAFMCMCMMXFDR-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.25
Rot. Bonds7

About 5-N-(4-aminocyclohexyl)-6-methyl-7-N-(4-propoxyphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine

5-N-(4-aminocyclohexyl)-6-methyl-7-N-(4-propoxyphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine (PubChem CID 68827442) has the molecular formula C22H30N6O and a molecular weight of 394.52 g/mol. Its IUPAC name is 5-N-(4-aminocyclohexyl)-6-methyl-7-N-(4-propoxyphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name5-N-(4-aminocyclohexyl)-6-methyl-7-N-(4-propoxyphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
PubChem CID68827442
Molecular FormulaC22H30N6O
Molecular Weight394.52 g/mol
Exact Mass394.25
IUPAC Name5-N-(4-aminocyclohexyl)-6-methyl-7-N-(4-propoxyphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
SMILESCCCOc1ccc(Nc2c(C)c(NC3CCC(N)CC3)nc3ccnn23)cc1
InChIInChI=1S/C22H30N6O/c1-3-14-29-19-10-8-18(9-11-19)26-22-15(2)21(27-20-12-13-24-28(20)22)25-17-6-4-16(23)5-7-17/h8-13,16-17,26H,3-7,14,23H2,1-2H3,(H,25,27)
InChIKeySCAFMCMCMMXFDR-UHFFFAOYSA-N
XLogP4.25
TPSA89.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-N-(4-aminocyclohexyl)-6-methyl-7-N-(4-propoxyphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine?
The IUPAC name of 5-N-(4-aminocyclohexyl)-6-methyl-7-N-(4-propoxyphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine (CID 68827442) is 5-N-(4-aminocyclohexyl)-6-methyl-7-N-(4-propoxyphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine.
What is the SMILES notation for 5-N-(4-aminocyclohexyl)-6-methyl-7-N-(4-propoxyphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine?
The canonical SMILES for 5-N-(4-aminocyclohexyl)-6-methyl-7-N-(4-propoxyphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine is CCCOc1ccc(Nc2c(C)c(NC3CCC(N)CC3)nc3ccnn23)cc1.
What is the InChIKey of 5-N-(4-aminocyclohexyl)-6-methyl-7-N-(4-propoxyphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine?
The InChIKey is SCAFMCMCMMXFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O/c1-3-14-29-19-10-8-18(9-11-19)26-22-15(2)21(27-20-12-13-24-28(20)22)25-17-6-4-16(23)5-7-17/h8-13,16-17,26H,3-7,14,23H2,1-2H3,(H,25,27).
What are the key properties of 5-N-(4-aminocyclohexyl)-6-methyl-7-N-(4-propoxyphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine?
5-N-(4-aminocyclohexyl)-6-methyl-7-N-(4-propoxyphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine has a molecular weight of 394.52 g/mol, XLogP of 4.25, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-aminocyclohexyl)-6-methyl-7-N-(4-propoxyphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine is sourced from PubChem (CID 68827442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).