3-(2-methoxy-4-pyridinyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine

C13H13N5O — CID 162673595

IUPAC3-(2-methoxy-4-pyridinyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCNc1ccn2ncc(-c3ccnc(OC)c3)c2n1
InChIInChI=1S/C13H13N5O/c1-14-11-4-6-18-13(17-11)10(8-16-18)9-3-5-15-12(7-9)19-2/h3-8H,1-2H3,(H,14,17)
InChIKeyLLOKFNZTYDSKBX-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.84
Rot. Bonds3

About 3-(2-methoxy-4-pyridinyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine

3-(2-methoxy-4-pyridinyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 162673595) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-(2-methoxy-4-pyridinyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-(2-methoxy-4-pyridinyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID162673595
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name3-(2-methoxy-4-pyridinyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCNc1ccn2ncc(-c3ccnc(OC)c3)c2n1
InChIInChI=1S/C13H13N5O/c1-14-11-4-6-18-13(17-11)10(8-16-18)9-3-5-15-12(7-9)19-2/h3-8H,1-2H3,(H,14,17)
InChIKeyLLOKFNZTYDSKBX-UHFFFAOYSA-N
XLogP1.84
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-4-pyridinyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-(2-methoxy-4-pyridinyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine (CID 162673595) is 3-(2-methoxy-4-pyridinyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-(2-methoxy-4-pyridinyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-(2-methoxy-4-pyridinyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine is CNc1ccn2ncc(-c3ccnc(OC)c3)c2n1.
What is the InChIKey of 3-(2-methoxy-4-pyridinyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is LLOKFNZTYDSKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-14-11-4-6-18-13(17-11)10(8-16-18)9-3-5-15-12(7-9)19-2/h3-8H,1-2H3,(H,14,17).
What are the key properties of 3-(2-methoxy-4-pyridinyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine?
3-(2-methoxy-4-pyridinyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 255.28 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-4-pyridinyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 162673595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).