(2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine

C9H16N4 — CID 136838075

IUPAC(2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine
SMILESCc1nn2c(c1C)NCCC2CN
InChIInChI=1S/C9H16N4/c1-6-7(2)12-13-8(5-10)3-4-11-9(6)13/h8,11H,3-5,10H2,1-2H3
InChIKeyZOKQXWVYFIGSLA-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.82
Rot. Bonds1

About (2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine

(2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine (PubChem CID 136838075) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is (2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine.

Molecular Properties

Compound Name(2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine
PubChem CID136838075
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name(2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine
SMILESCc1nn2c(c1C)NCCC2CN
InChIInChI=1S/C9H16N4/c1-6-7(2)12-13-8(5-10)3-4-11-9(6)13/h8,11H,3-5,10H2,1-2H3
InChIKeyZOKQXWVYFIGSLA-UHFFFAOYSA-N
XLogP0.82
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine?
The IUPAC name of (2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine (CID 136838075) is (2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine.
What is the SMILES notation for (2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine?
The canonical SMILES for (2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine is Cc1nn2c(c1C)NCCC2CN.
What is the InChIKey of (2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine?
The InChIKey is ZOKQXWVYFIGSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-6-7(2)12-13-8(5-10)3-4-11-9(6)13/h8,11H,3-5,10H2,1-2H3.
What are the key properties of (2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine?
(2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine has a molecular weight of 180.25 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine is sourced from PubChem (CID 136838075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).