3-bromo-N-(6-methylhept-5-en-2-yl)pyrazolo[1,5-a]pyrimidin-5-amine

C14H19BrN4 — CID 167854146

IUPAC3-bromo-N-(6-methylhept-5-en-2-yl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCC(C)=CCCC(C)Nc1ccn2ncc(Br)c2n1
InChIInChI=1S/C14H19BrN4/c1-10(2)5-4-6-11(3)17-13-7-8-19-14(18-13)12(15)9-16-19/h5,7-9,11H,4,6H2,1-3H3,(H,17,18)
InChIKeyHSKGRFVISACEFW-UHFFFAOYSA-N
MW323.24 g/mol
LogP4.04
Rot. Bonds5

About 3-bromo-N-(6-methylhept-5-en-2-yl)pyrazolo[1,5-a]pyrimidin-5-amine

3-bromo-N-(6-methylhept-5-en-2-yl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 167854146) has the molecular formula C14H19BrN4 and a molecular weight of 323.24 g/mol. Its IUPAC name is 3-bromo-N-(6-methylhept-5-en-2-yl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-bromo-N-(6-methylhept-5-en-2-yl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID167854146
Molecular FormulaC14H19BrN4
Molecular Weight323.24 g/mol
Exact Mass322.08
IUPAC Name3-bromo-N-(6-methylhept-5-en-2-yl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCC(C)=CCCC(C)Nc1ccn2ncc(Br)c2n1
InChIInChI=1S/C14H19BrN4/c1-10(2)5-4-6-11(3)17-13-7-8-19-14(18-13)12(15)9-16-19/h5,7-9,11H,4,6H2,1-3H3,(H,17,18)
InChIKeyHSKGRFVISACEFW-UHFFFAOYSA-N
XLogP4.04
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.24
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]pentan-1-ol
CID 167974820
(2S)-2-N-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-1-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
CID 167915384
3-bromo-N-[1-(4-propan-2-ylphenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 167939194
3-bromo-N-[1-(2-methylphenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 167811303
2-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-N,N-dimethylpropane-1-sulfonamide
CID 167872990
(2S)-2-N-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-1-N-ethyl-1-N-propylpropane-1,2-diamine
CID 167789562
3-bromo-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 151211392
1-[2-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]propyl]pyrrolidin-2-one
CID 167973333
3-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 167907324
4-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-2-phenylbutan-2-ol
CID 167948226
2-[[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]methyl]-3-(4-methylphenyl)propan-1-ol
CID 167879216
(E)-3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)prop-2-en-1-ol
CID 130354106

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(6-methylhept-5-en-2-yl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-bromo-N-(6-methylhept-5-en-2-yl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 167854146) is 3-bromo-N-(6-methylhept-5-en-2-yl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-bromo-N-(6-methylhept-5-en-2-yl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-bromo-N-(6-methylhept-5-en-2-yl)pyrazolo[1,5-a]pyrimidin-5-amine is CC(C)=CCCC(C)Nc1ccn2ncc(Br)c2n1.
What is the InChIKey of 3-bromo-N-(6-methylhept-5-en-2-yl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is HSKGRFVISACEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4/c1-10(2)5-4-6-11(3)17-13-7-8-19-14(18-13)12(15)9-16-19/h5,7-9,11H,4,6H2,1-3H3,(H,17,18).
What are the key properties of 3-bromo-N-(6-methylhept-5-en-2-yl)pyrazolo[1,5-a]pyrimidin-5-amine?
3-bromo-N-(6-methylhept-5-en-2-yl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 323.24 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(6-methylhept-5-en-2-yl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 167854146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).