3-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C18H19N5O — CID 122193822

IUPAC3-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2ccccn2)n2ncc(C3=CCOCC3)c2n1
InChIInChI=1S/C18H19N5O/c1-13-10-17(20-11-15-4-2-3-7-19-15)23-18(22-13)16(12-21-23)14-5-8-24-9-6-14/h2-5,7,10,12,20H,6,8-9,11H2,1H3
InChIKeyGKBGNBXJQFHRTJ-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.85
Rot. Bonds4

About 3-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

3-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 122193822) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID122193822
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name3-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2ccccn2)n2ncc(C3=CCOCC3)c2n1
InChIInChI=1S/C18H19N5O/c1-13-10-17(20-11-15-4-2-3-7-19-15)23-18(22-13)16(12-21-23)14-5-8-24-9-6-14/h2-5,7,10,12,20H,6,8-9,11H2,1H3
InChIKeyGKBGNBXJQFHRTJ-UHFFFAOYSA-N
XLogP2.85
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 122193822) is 3-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCc2ccccn2)n2ncc(C3=CCOCC3)c2n1.
What is the InChIKey of 3-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GKBGNBXJQFHRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-13-10-17(20-11-15-4-2-3-7-19-15)23-18(22-13)16(12-21-23)14-5-8-24-9-6-14/h2-5,7,10,12,20H,6,8-9,11H2,1H3.
What are the key properties of 3-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 321.38 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 122193822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).