N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine

C17H22N6 — CID 56913756

IUPACN-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(C)nc(CCNc2cc(C)nc3c(C)c(C)nn23)n1
InChIInChI=1S/C17H22N6/c1-10-8-11(2)20-15(19-10)6-7-18-16-9-12(3)21-17-13(4)14(5)22-23(16)17/h8-9,18H,6-7H2,1-5H3
InChIKeyXDRHEZQFGIHQQS-UHFFFAOYSA-N
MW310.41 g/mol
LogP2.72
Rot. Bonds4

About N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine

N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56913756) has the molecular formula C17H22N6 and a molecular weight of 310.41 g/mol. Its IUPAC name is N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56913756
Molecular FormulaC17H22N6
Molecular Weight310.41 g/mol
Exact Mass310.19
IUPAC NameN-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(C)nc(CCNc2cc(C)nc3c(C)c(C)nn23)n1
InChIInChI=1S/C17H22N6/c1-10-8-11(2)20-15(19-10)6-7-18-16-9-12(3)21-17-13(4)14(5)22-23(16)17/h8-9,18H,6-7H2,1-5H3
InChIKeyXDRHEZQFGIHQQS-UHFFFAOYSA-N
XLogP2.72
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine (CID 56913756) is N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(C)nc(CCNc2cc(C)nc3c(C)c(C)nn23)n1.
What is the InChIKey of N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is XDRHEZQFGIHQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6/c1-10-8-11(2)20-15(19-10)6-7-18-16-9-12(3)21-17-13(4)14(5)22-23(16)17/h8-9,18H,6-7H2,1-5H3.
What are the key properties of N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 310.41 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56913756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).