(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanamine

C7H7ClN4 — CID 84658788

IUPAC(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanamine
SMILESNCc1cc2ncc(Cl)cn2n1
InChIInChI=1S/C7H7ClN4/c8-5-3-10-7-1-6(2-9)11-12(7)4-5/h1,3-4H,2,9H2
InChIKeyNBNQLXGSKYSVSW-UHFFFAOYSA-N
MW182.61 g/mol
LogP0.84
Rot. Bonds1

About (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanamine

(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanamine (PubChem CID 84658788) has the molecular formula C7H7ClN4 and a molecular weight of 182.61 g/mol. Its IUPAC name is (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanamine.

Molecular Properties

Compound Name(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanamine
PubChem CID84658788
Molecular FormulaC7H7ClN4
Molecular Weight182.61 g/mol
Exact Mass182.04
IUPAC Name(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanamine
SMILESNCc1cc2ncc(Cl)cn2n1
InChIInChI=1S/C7H7ClN4/c8-5-3-10-7-1-6(2-9)11-12(7)4-5/h1,3-4H,2,9H2
InChIKeyNBNQLXGSKYSVSW-UHFFFAOYSA-N
XLogP0.84
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)propanoic acid
CID 84725727
(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)methanamine
CID 84718696
2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanoic acid
CID 84727947
2-ethylpyrazolo[1,5-a]pyrimidin-6-ol
CID 117246784
(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)methanol
CID 84767334
6-bromo-2-propylpyrazolo[1,5-a]pyrimidine
CID 104619391
2-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)ethanol
CID 165474504
(2-methylimidazo[1,2-b]pyridazin-6-yl)methanamine
CID 130047300
[2-(2,4,6-trichlorophenyl)triazol-4-yl]methanamine
CID 13163346
(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)methanol
CID 133058331
(6-chloroimidazo[1,2-b]pyridazin-3-yl)methanamine
CID 11480847
2-(6-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)acetic acid
CID 84684657

Frequently Asked Questions

What is the IUPAC name of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanamine?
The IUPAC name of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanamine (CID 84658788) is (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanamine.
What is the SMILES notation for (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanamine?
The canonical SMILES for (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanamine is NCc1cc2ncc(Cl)cn2n1.
What is the InChIKey of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanamine?
The InChIKey is NBNQLXGSKYSVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4/c8-5-3-10-7-1-6(2-9)11-12(7)4-5/h1,3-4H,2,9H2.
What are the key properties of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanamine?
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanamine has a molecular weight of 182.61 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanamine is sourced from PubChem (CID 84658788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).