N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine

C17H13BrClN7 — CID 10432869

IUPACN-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1ncc(CNc2cc(-c3ccccc3Cl)nc3c(Br)cnn23)cn1
InChIInChI=1S/C17H13BrClN7/c18-12-9-24-26-15(21-6-10-7-22-17(20)23-8-10)5-14(25-16(12)26)11-3-1-2-4-13(11)19/h1-5,7-9,21H,6H2,(H2,20,22,23)
InChIKeyISNUVYSCDDIZSS-UHFFFAOYSA-N
MW430.70 g/mol
LogP3.80
Rot. Bonds4

About N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine

N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 10432869) has the molecular formula C17H13BrClN7 and a molecular weight of 430.70 g/mol. Its IUPAC name is N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID10432869
Molecular FormulaC17H13BrClN7
Molecular Weight430.70 g/mol
Exact Mass429.01
IUPAC NameN-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1ncc(CNc2cc(-c3ccccc3Cl)nc3c(Br)cnn23)cn1
InChIInChI=1S/C17H13BrClN7/c18-12-9-24-26-15(21-6-10-7-22-17(20)23-8-10)5-14(25-16(12)26)11-3-1-2-4-13(11)19/h1-5,7-9,21H,6H2,(H2,20,22,23)
InChIKeyISNUVYSCDDIZSS-UHFFFAOYSA-N
XLogP3.80
TPSA94.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.70
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 10432869) is N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine is Nc1ncc(CNc2cc(-c3ccccc3Cl)nc3c(Br)cnn23)cn1.
What is the InChIKey of N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ISNUVYSCDDIZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrClN7/c18-12-9-24-26-15(21-6-10-7-22-17(20)23-8-10)5-14(25-16(12)26)11-3-1-2-4-13(11)19/h1-5,7-9,21H,6H2,(H2,20,22,23).
What are the key properties of N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 430.70 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 10432869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).