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

C27H32N6O — CID 10049731

IUPAC5-N-(4-aminocyclohexyl)-6-ethyl-7-N-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
SMILESCCc1c(NC2CCC(N)CC2)nc2ccnn2c1Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C27H32N6O/c1-2-24-26(30-21-10-8-20(28)9-11-21)32-25-16-17-29-33(25)27(24)31-22-12-14-23(15-13-22)34-18-19-6-4-3-5-7-19/h3-7,12-17,20-21,31H,2,8-11,18,28H2,1H3,(H,30,32)
InChIKeyAFTAIZLSIPAMIF-UHFFFAOYSA-N
MW456.59 g/mol
LogP5.30
Rot. Bonds8

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

5-N-(4-aminocyclohexyl)-6-ethyl-7-N-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine (PubChem CID 10049731) has the molecular formula C27H32N6O and a molecular weight of 456.59 g/mol. Its IUPAC name is 5-N-(4-aminocyclohexyl)-6-ethyl-7-N-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name5-N-(4-aminocyclohexyl)-6-ethyl-7-N-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
PubChem CID10049731
Molecular FormulaC27H32N6O
Molecular Weight456.59 g/mol
Exact Mass456.26
IUPAC Name5-N-(4-aminocyclohexyl)-6-ethyl-7-N-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
SMILESCCc1c(NC2CCC(N)CC2)nc2ccnn2c1Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C27H32N6O/c1-2-24-26(30-21-10-8-20(28)9-11-21)32-25-16-17-29-33(25)27(24)31-22-12-14-23(15-13-22)34-18-19-6-4-3-5-7-19/h3-7,12-17,20-21,31H,2,8-11,18,28H2,1H3,(H,30,32)
InChIKeyAFTAIZLSIPAMIF-UHFFFAOYSA-N
XLogP5.30
TPSA89.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 55.30
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-ethyl-7-N-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine?
The IUPAC name of 5-N-(4-aminocyclohexyl)-6-ethyl-7-N-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine (CID 10049731) is 5-N-(4-aminocyclohexyl)-6-ethyl-7-N-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine.
What is the SMILES notation for 5-N-(4-aminocyclohexyl)-6-ethyl-7-N-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine?
The canonical SMILES for 5-N-(4-aminocyclohexyl)-6-ethyl-7-N-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine is CCc1c(NC2CCC(N)CC2)nc2ccnn2c1Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 5-N-(4-aminocyclohexyl)-6-ethyl-7-N-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine?
The InChIKey is AFTAIZLSIPAMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O/c1-2-24-26(30-21-10-8-20(28)9-11-21)32-25-16-17-29-33(25)27(24)31-22-12-14-23(15-13-22)34-18-19-6-4-3-5-7-19/h3-7,12-17,20-21,31H,2,8-11,18,28H2,1H3,(H,30,32).
What are the key properties of 5-N-(4-aminocyclohexyl)-6-ethyl-7-N-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine?
5-N-(4-aminocyclohexyl)-6-ethyl-7-N-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine has a molecular weight of 456.59 g/mol, XLogP of 5.30, 8 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-ethyl-7-N-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine is sourced from PubChem (CID 10049731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).