2-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine

C18H19ClN6O — CID 122096809

IUPAC2-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine
SMILESN/C(=N\CCc1cnc2c(Cl)cnn2c1)NC1CCOc2ccccc21
InChIInChI=1S/C18H19ClN6O/c19-14-10-23-25-11-12(9-22-17(14)25)5-7-21-18(20)24-15-6-8-26-16-4-2-1-3-13(15)16/h1-4,9-11,15H,5-8H2,(H3,20,21,24)
InChIKeyLREMKYFJBUKZCS-UHFFFAOYSA-N
MW370.84 g/mol
LogP2.35
Rot. Bonds4

About 2-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine

2-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine (PubChem CID 122096809) has the molecular formula C18H19ClN6O and a molecular weight of 370.84 g/mol. Its IUPAC name is 2-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine.

Molecular Properties

Compound Name2-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine
PubChem CID122096809
Molecular FormulaC18H19ClN6O
Molecular Weight370.84 g/mol
Exact Mass370.13
IUPAC Name2-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine
SMILESN/C(=N\CCc1cnc2c(Cl)cnn2c1)NC1CCOc2ccccc21
InChIInChI=1S/C18H19ClN6O/c19-14-10-23-25-11-12(9-22-17(14)25)5-7-21-18(20)24-15-6-8-26-16-4-2-1-3-13(15)16/h1-4,9-11,15H,5-8H2,(H3,20,21,24)
InChIKeyLREMKYFJBUKZCS-UHFFFAOYSA-N
XLogP2.35
TPSA89.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine;hydroiodide
CID 111597957
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]guanidine
CID 111817234
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(3-fluorophenyl)ethyl]guanidine;hydroiodide
CID 111597853
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]guanidine
CID 119148401
2-[2-(4-butoxyphenyl)ethyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine
CID 111598438
1-(3,4-dihydro-2H-chromen-4-yl)-2-(2-pyrazol-1-ylethyl)guanidine
CID 119140884
1-(3,4-dihydro-2H-chromen-4-yl)-2-propylguanidine;hydroiodide
CID 75418867
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(4-nitrophenyl)ethyl]guanidine
CID 119140918
3-[2-[[amino-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]ethyl]benzamide
CID 119141008
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-[4-(2-methylpropoxy)phenyl]ethyl]guanidine;hydroiodide
CID 111806285
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine
CID 119140830
2-[2-(cyclohexen-1-yl)ethyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine
CID 111597502

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine?
The IUPAC name of 2-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine (CID 122096809) is 2-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine.
What is the SMILES notation for 2-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine?
The canonical SMILES for 2-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine is N/C(=N\CCc1cnc2c(Cl)cnn2c1)NC1CCOc2ccccc21.
What is the InChIKey of 2-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine?
The InChIKey is LREMKYFJBUKZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O/c19-14-10-23-25-11-12(9-22-17(14)25)5-7-21-18(20)24-15-6-8-26-16-4-2-1-3-13(15)16/h1-4,9-11,15H,5-8H2,(H3,20,21,24).
What are the key properties of 2-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine?
2-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine has a molecular weight of 370.84 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine is sourced from PubChem (CID 122096809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).