2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-amine;dihydrochloride

C7H14Cl2N4 — CID 146155195

IUPAC2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-amine;dihydrochloride
SMILESCc1nn2c(c1N)NCCC2.Cl.Cl
InChIInChI=1S/C7H12N4.2ClH/c1-5-6(8)7-9-3-2-4-11(7)10-5;;/h9H,2-4,8H2,1H3;2*1H
InChIKeyWLBMVVWVHUITPS-UHFFFAOYSA-N
MW225.12 g/mol
LogP1.43
Rot. Bonds

About 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-amine;dihydrochloride

2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-amine;dihydrochloride (PubChem CID 146155195) has the molecular formula C7H14Cl2N4 and a molecular weight of 225.12 g/mol. Its IUPAC name is 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-amine;dihydrochloride
PubChem CID146155195
Molecular FormulaC7H14Cl2N4
Molecular Weight225.12 g/mol
Exact Mass224.06
IUPAC Name2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-amine;dihydrochloride
SMILESCc1nn2c(c1N)NCCC2.Cl.Cl
InChIInChI=1S/C7H12N4.2ClH/c1-5-6(8)7-9-3-2-4-11(7)10-5;;/h9H,2-4,8H2,1H3;2*1H
InChIKeyWLBMVVWVHUITPS-UHFFFAOYSA-N
XLogP1.43
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.12
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-amine;dihydrochloride?
The IUPAC name of 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-amine;dihydrochloride (CID 146155195) is 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-amine;dihydrochloride.
What is the SMILES notation for 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-amine;dihydrochloride?
The canonical SMILES for 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-amine;dihydrochloride is Cc1nn2c(c1N)NCCC2.Cl.Cl.
What is the InChIKey of 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-amine;dihydrochloride?
The InChIKey is WLBMVVWVHUITPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4.2ClH/c1-5-6(8)7-9-3-2-4-11(7)10-5;;/h9H,2-4,8H2,1H3;2*1H.
What are the key properties of 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-amine;dihydrochloride?
2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-amine;dihydrochloride has a molecular weight of 225.12 g/mol, XLogP of 1.43, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-amine;dihydrochloride is sourced from PubChem (CID 146155195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).