1-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]cyclobutan-1-amine

C13H18N4 — CID 115765667

IUPAC1-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]cyclobutan-1-amine
SMILESCc1cc2ncc(CNC3(C)CCC3)cn2n1
InChIInChI=1S/C13H18N4/c1-10-6-12-14-7-11(9-17(12)16-10)8-15-13(2)4-3-5-13/h6-7,9,15H,3-5,8H2,1-2H3
InChIKeyWKXBSRMGMXPWGV-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.07
Rot. Bonds3

About 1-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]cyclobutan-1-amine

1-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]cyclobutan-1-amine (PubChem CID 115765667) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]cyclobutan-1-amine
PubChem CID115765667
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name1-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]cyclobutan-1-amine
SMILESCc1cc2ncc(CNC3(C)CCC3)cn2n1
InChIInChI=1S/C13H18N4/c1-10-6-12-14-7-11(9-17(12)16-10)8-15-13(2)4-3-5-13/h6-7,9,15H,3-5,8H2,1-2H3
InChIKeyWKXBSRMGMXPWGV-UHFFFAOYSA-N
XLogP2.07
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 1-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]cyclobutan-1-amine (CID 115765667) is 1-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 1-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]cyclobutan-1-amine is Cc1cc2ncc(CNC3(C)CCC3)cn2n1.
What is the InChIKey of 1-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]cyclobutan-1-amine?
The InChIKey is WKXBSRMGMXPWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-10-6-12-14-7-11(9-17(12)16-10)8-15-13(2)4-3-5-13/h6-7,9,15H,3-5,8H2,1-2H3.
What are the key properties of 1-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]cyclobutan-1-amine?
1-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]cyclobutan-1-amine has a molecular weight of 230.31 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 115765667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).