N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-pyridin-4-ylethanamine

C15H17N5 — CID 62405315

IUPACN-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-pyridin-4-ylethanamine
SMILESCc1cc2ncc(CNC(C)c3ccncc3)cn2n1
InChIInChI=1S/C15H17N5/c1-11-7-15-18-9-13(10-20(15)19-11)8-17-12(2)14-3-5-16-6-4-14/h3-7,9-10,12,17H,8H2,1-2H3
InChIKeyAKWJVXXHLKHCKH-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.28
Rot. Bonds4

About N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-pyridin-4-ylethanamine

N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-pyridin-4-ylethanamine (PubChem CID 62405315) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-pyridin-4-ylethanamine
PubChem CID62405315
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC NameN-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-pyridin-4-ylethanamine
SMILESCc1cc2ncc(CNC(C)c3ccncc3)cn2n1
InChIInChI=1S/C15H17N5/c1-11-7-15-18-9-13(10-20(15)19-11)8-17-12(2)14-3-5-16-6-4-14/h3-7,9-10,12,17H,8H2,1-2H3
InChIKeyAKWJVXXHLKHCKH-UHFFFAOYSA-N
XLogP2.28
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-pyridin-4-ylethanamine?
The IUPAC name of N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-pyridin-4-ylethanamine (CID 62405315) is N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-pyridin-4-ylethanamine is Cc1cc2ncc(CNC(C)c3ccncc3)cn2n1.
What is the InChIKey of N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-pyridin-4-ylethanamine?
The InChIKey is AKWJVXXHLKHCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-11-7-15-18-9-13(10-20(15)19-11)8-17-12(2)14-3-5-16-6-4-14/h3-7,9-10,12,17H,8H2,1-2H3.
What are the key properties of N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-pyridin-4-ylethanamine?
N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-pyridin-4-ylethanamine has a molecular weight of 267.34 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 62405315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).