7-ethyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-amine

C9H16N4 — CID 136709987

IUPAC7-ethyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-amine
SMILESCCC1C(C)CNc2c(N)cnn21
InChIInChI=1S/C9H16N4/c1-3-8-6(2)4-11-9-7(10)5-12-13(8)9/h5-6,8,11H,3-4,10H2,1-2H3
InChIKeyMFKMJOBNRWGHEG-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.48
Rot. Bonds1

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

7-ethyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-amine (PubChem CID 136709987) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 7-ethyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-amine.

Molecular Properties

Compound Name7-ethyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-amine
PubChem CID136709987
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name7-ethyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-amine
SMILESCCC1C(C)CNc2c(N)cnn21
InChIInChI=1S/C9H16N4/c1-3-8-6(2)4-11-9-7(10)5-12-13(8)9/h5-6,8,11H,3-4,10H2,1-2H3
InChIKeyMFKMJOBNRWGHEG-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-amine?
The IUPAC name of 7-ethyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-amine (CID 136709987) is 7-ethyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-amine.
What is the SMILES notation for 7-ethyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-amine?
The canonical SMILES for 7-ethyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-amine is CCC1C(C)CNc2c(N)cnn21.
What is the InChIKey of 7-ethyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-amine?
The InChIKey is MFKMJOBNRWGHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-3-8-6(2)4-11-9-7(10)5-12-13(8)9/h5-6,8,11H,3-4,10H2,1-2H3.
What are the key properties of 7-ethyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-amine?
7-ethyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-amine has a molecular weight of 180.25 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-amine is sourced from PubChem (CID 136709987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).