N-[6-(aminomethyl)-2-pyridinyl]-5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-amine

C19H19N7O2 — CID 171783716

IUPACN-[6-(aminomethyl)-2-pyridinyl]-5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1cc(-c2ccn3nc(Nc4cccc(CN)n4)cc3n2)cnc1OC
InChIInChI=1S/C19H19N7O2/c1-27-15-8-12(11-21-19(15)28-2)14-6-7-26-18(23-14)9-17(25-26)24-16-5-3-4-13(10-20)22-16/h3-9,11H,10,20H2,1-2H3,(H,22,24,25)
InChIKeyDSLTXRYHANMRCS-UHFFFAOYSA-N
MW377.41 g/mol
LogP2.41
Rot. Bonds6

About N-[6-(aminomethyl)-2-pyridinyl]-5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-amine

N-[6-(aminomethyl)-2-pyridinyl]-5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 171783716) has the molecular formula C19H19N7O2 and a molecular weight of 377.41 g/mol. Its IUPAC name is N-[6-(aminomethyl)-2-pyridinyl]-5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[6-(aminomethyl)-2-pyridinyl]-5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID171783716
Molecular FormulaC19H19N7O2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC NameN-[6-(aminomethyl)-2-pyridinyl]-5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1cc(-c2ccn3nc(Nc4cccc(CN)n4)cc3n2)cnc1OC
InChIInChI=1S/C19H19N7O2/c1-27-15-8-12(11-21-19(15)28-2)14-6-7-26-18(23-14)9-17(25-26)24-16-5-3-4-13(10-20)22-16/h3-9,11H,10,20H2,1-2H3,(H,22,24,25)
InChIKeyDSLTXRYHANMRCS-UHFFFAOYSA-N
XLogP2.41
TPSA112.48 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[6-(aminomethyl)-2-pyridinyl]-5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of N-[6-(aminomethyl)-2-pyridinyl]-5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-amine (CID 171783716) is N-[6-(aminomethyl)-2-pyridinyl]-5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for N-[6-(aminomethyl)-2-pyridinyl]-5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for N-[6-(aminomethyl)-2-pyridinyl]-5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-amine is COc1cc(-c2ccn3nc(Nc4cccc(CN)n4)cc3n2)cnc1OC.
What is the InChIKey of N-[6-(aminomethyl)-2-pyridinyl]-5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is DSLTXRYHANMRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2/c1-27-15-8-12(11-21-19(15)28-2)14-6-7-26-18(23-14)9-17(25-26)24-16-5-3-4-13(10-20)22-16/h3-9,11H,10,20H2,1-2H3,(H,22,24,25).
What are the key properties of N-[6-(aminomethyl)-2-pyridinyl]-5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-amine?
N-[6-(aminomethyl)-2-pyridinyl]-5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 377.41 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(aminomethyl)-2-pyridinyl]-5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 171783716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).