5-N-(4-aminocyclohexyl)-7-N-(4-ethoxyphenyl)-6-methylpyrazolo[1,5-a]pyrimidine-5,7-diamine

C21H28N6O — CID 10339752

IUPAC5-N-(4-aminocyclohexyl)-7-N-(4-ethoxyphenyl)-6-methylpyrazolo[1,5-a]pyrimidine-5,7-diamine
SMILESCCOc1ccc(Nc2c(C)c(NC3CCC(N)CC3)nc3ccnn23)cc1
InChIInChI=1S/C21H28N6O/c1-3-28-18-10-8-17(9-11-18)25-21-14(2)20(26-19-12-13-23-27(19)21)24-16-6-4-15(22)5-7-16/h8-13,15-16,25H,3-7,22H2,1-2H3,(H,24,26)
InChIKeyIWCDYFKDQHUZMN-UHFFFAOYSA-N
MW380.50 g/mol
LogP3.86
Rot. Bonds6

About 5-N-(4-aminocyclohexyl)-7-N-(4-ethoxyphenyl)-6-methylpyrazolo[1,5-a]pyrimidine-5,7-diamine

5-N-(4-aminocyclohexyl)-7-N-(4-ethoxyphenyl)-6-methylpyrazolo[1,5-a]pyrimidine-5,7-diamine (PubChem CID 10339752) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is 5-N-(4-aminocyclohexyl)-7-N-(4-ethoxyphenyl)-6-methylpyrazolo[1,5-a]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name5-N-(4-aminocyclohexyl)-7-N-(4-ethoxyphenyl)-6-methylpyrazolo[1,5-a]pyrimidine-5,7-diamine
PubChem CID10339752
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC Name5-N-(4-aminocyclohexyl)-7-N-(4-ethoxyphenyl)-6-methylpyrazolo[1,5-a]pyrimidine-5,7-diamine
SMILESCCOc1ccc(Nc2c(C)c(NC3CCC(N)CC3)nc3ccnn23)cc1
InChIInChI=1S/C21H28N6O/c1-3-28-18-10-8-17(9-11-18)25-21-14(2)20(26-19-12-13-23-27(19)21)24-16-6-4-15(22)5-7-16/h8-13,15-16,25H,3-7,22H2,1-2H3,(H,24,26)
InChIKeyIWCDYFKDQHUZMN-UHFFFAOYSA-N
XLogP3.86
TPSA89.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 53.86
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)-7-N-(4-ethoxyphenyl)-6-methylpyrazolo[1,5-a]pyrimidine-5,7-diamine?
The IUPAC name of 5-N-(4-aminocyclohexyl)-7-N-(4-ethoxyphenyl)-6-methylpyrazolo[1,5-a]pyrimidine-5,7-diamine (CID 10339752) is 5-N-(4-aminocyclohexyl)-7-N-(4-ethoxyphenyl)-6-methylpyrazolo[1,5-a]pyrimidine-5,7-diamine.
What is the SMILES notation for 5-N-(4-aminocyclohexyl)-7-N-(4-ethoxyphenyl)-6-methylpyrazolo[1,5-a]pyrimidine-5,7-diamine?
The canonical SMILES for 5-N-(4-aminocyclohexyl)-7-N-(4-ethoxyphenyl)-6-methylpyrazolo[1,5-a]pyrimidine-5,7-diamine is CCOc1ccc(Nc2c(C)c(NC3CCC(N)CC3)nc3ccnn23)cc1.
What is the InChIKey of 5-N-(4-aminocyclohexyl)-7-N-(4-ethoxyphenyl)-6-methylpyrazolo[1,5-a]pyrimidine-5,7-diamine?
The InChIKey is IWCDYFKDQHUZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O/c1-3-28-18-10-8-17(9-11-18)25-21-14(2)20(26-19-12-13-23-27(19)21)24-16-6-4-15(22)5-7-16/h8-13,15-16,25H,3-7,22H2,1-2H3,(H,24,26).
What are the key properties of 5-N-(4-aminocyclohexyl)-7-N-(4-ethoxyphenyl)-6-methylpyrazolo[1,5-a]pyrimidine-5,7-diamine?
5-N-(4-aminocyclohexyl)-7-N-(4-ethoxyphenyl)-6-methylpyrazolo[1,5-a]pyrimidine-5,7-diamine has a molecular weight of 380.50 g/mol, XLogP of 3.86, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-aminocyclohexyl)-7-N-(4-ethoxyphenyl)-6-methylpyrazolo[1,5-a]pyrimidine-5,7-diamine is sourced from PubChem (CID 10339752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).