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

C10H17BrN4 — CID 136839109

IUPAC(3-bromo-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine
SMILESCC(C)c1nn2c(c1Br)NCCC2CN
InChIInChI=1S/C10H17BrN4/c1-6(2)9-8(11)10-13-4-3-7(5-12)15(10)14-9/h6-7,13H,3-5,12H2,1-2H3
InChIKeyIJOHJPSHDOUZTR-UHFFFAOYSA-N
MW273.18 g/mol
LogP2.08
Rot. Bonds2

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

(3-bromo-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine (PubChem CID 136839109) has the molecular formula C10H17BrN4 and a molecular weight of 273.18 g/mol. Its IUPAC name is (3-bromo-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine
PubChem CID136839109
Molecular FormulaC10H17BrN4
Molecular Weight273.18 g/mol
Exact Mass272.06
IUPAC Name(3-bromo-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine
SMILESCC(C)c1nn2c(c1Br)NCCC2CN
InChIInChI=1S/C10H17BrN4/c1-6(2)9-8(11)10-13-4-3-7(5-12)15(10)14-9/h6-7,13H,3-5,12H2,1-2H3
InChIKeyIJOHJPSHDOUZTR-UHFFFAOYSA-N
XLogP2.08
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.18
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine?
The IUPAC name of (3-bromo-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine (CID 136839109) is (3-bromo-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine.
What is the SMILES notation for (3-bromo-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine?
The canonical SMILES for (3-bromo-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine is CC(C)c1nn2c(c1Br)NCCC2CN.
What is the InChIKey of (3-bromo-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine?
The InChIKey is IJOHJPSHDOUZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN4/c1-6(2)9-8(11)10-13-4-3-7(5-12)15(10)14-9/h6-7,13H,3-5,12H2,1-2H3.
What are the key properties of (3-bromo-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine?
(3-bromo-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine has a molecular weight of 273.18 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine is sourced from PubChem (CID 136839109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).