2-(4-butoxyphenyl)-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-c]pyrimidin-7-amine

C30H37N7O — CID 10217930

IUPAC2-(4-butoxyphenyl)-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-c]pyrimidin-7-amine
SMILESCCCCOc1ccc(-c2nn3c(NC4CCCC4)nccc3c2-c2ccnc(NC3CCCC3)n2)cc1
InChIInChI=1S/C30H37N7O/c1-2-3-20-38-24-14-12-21(13-15-24)28-27(25-16-18-31-29(35-25)33-22-8-4-5-9-22)26-17-19-32-30(37(26)36-28)34-23-10-6-7-11-23/h12-19,22-23H,2-11,20H2,1H3,(H,32,34)(H,31,33,35)
InChIKeyGISXRGJRBJJXLA-UHFFFAOYSA-N
MW511.67 g/mol
LogP6.74
Rot. Bonds10

About 2-(4-butoxyphenyl)-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-c]pyrimidin-7-amine

2-(4-butoxyphenyl)-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-c]pyrimidin-7-amine (PubChem CID 10217930) has the molecular formula C30H37N7O and a molecular weight of 511.67 g/mol. Its IUPAC name is 2-(4-butoxyphenyl)-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-c]pyrimidin-7-amine.

Molecular Properties

Compound Name2-(4-butoxyphenyl)-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-c]pyrimidin-7-amine
PubChem CID10217930
Molecular FormulaC30H37N7O
Molecular Weight511.67 g/mol
Exact Mass511.31
IUPAC Name2-(4-butoxyphenyl)-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-c]pyrimidin-7-amine
SMILESCCCCOc1ccc(-c2nn3c(NC4CCCC4)nccc3c2-c2ccnc(NC3CCCC3)n2)cc1
InChIInChI=1S/C30H37N7O/c1-2-3-20-38-24-14-12-21(13-15-24)28-27(25-16-18-31-29(35-25)33-22-8-4-5-9-22)26-17-19-32-30(37(26)36-28)34-23-10-6-7-11-23/h12-19,22-23H,2-11,20H2,1H3,(H,32,34)(H,31,33,35)
InChIKeyGISXRGJRBJJXLA-UHFFFAOYSA-N
XLogP6.74
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.67
LogP ≤ 56.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyphenyl)-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-c]pyrimidin-7-amine?
The IUPAC name of 2-(4-butoxyphenyl)-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-c]pyrimidin-7-amine (CID 10217930) is 2-(4-butoxyphenyl)-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-c]pyrimidin-7-amine.
What is the SMILES notation for 2-(4-butoxyphenyl)-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-c]pyrimidin-7-amine?
The canonical SMILES for 2-(4-butoxyphenyl)-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-c]pyrimidin-7-amine is CCCCOc1ccc(-c2nn3c(NC4CCCC4)nccc3c2-c2ccnc(NC3CCCC3)n2)cc1.
What is the InChIKey of 2-(4-butoxyphenyl)-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-c]pyrimidin-7-amine?
The InChIKey is GISXRGJRBJJXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N7O/c1-2-3-20-38-24-14-12-21(13-15-24)28-27(25-16-18-31-29(35-25)33-22-8-4-5-9-22)26-17-19-32-30(37(26)36-28)34-23-10-6-7-11-23/h12-19,22-23H,2-11,20H2,1H3,(H,32,34)(H,31,33,35).
What are the key properties of 2-(4-butoxyphenyl)-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-c]pyrimidin-7-amine?
2-(4-butoxyphenyl)-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-c]pyrimidin-7-amine has a molecular weight of 511.67 g/mol, XLogP of 6.74, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyphenyl)-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-c]pyrimidin-7-amine is sourced from PubChem (CID 10217930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).