N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-3-methoxypropan-1-amine

C14H22N4O — CID 43205172

IUPACN-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-3-methoxypropan-1-amine
SMILESCOCCCNC(C)c1cnc2cc(C)nn2c1C
InChIInChI=1S/C14H22N4O/c1-10-8-14-16-9-13(12(3)18(14)17-10)11(2)15-6-5-7-19-4/h8-9,11,15H,5-7H2,1-4H3
InChIKeyIPSVJQPCNVKOKS-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.03
Rot. Bonds6

About N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-3-methoxypropan-1-amine

N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-3-methoxypropan-1-amine (PubChem CID 43205172) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-3-methoxypropan-1-amine
PubChem CID43205172
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-3-methoxypropan-1-amine
SMILESCOCCCNC(C)c1cnc2cc(C)nn2c1C
InChIInChI=1S/C14H22N4O/c1-10-8-14-16-9-13(12(3)18(14)17-10)11(2)15-6-5-7-19-4/h8-9,11,15H,5-7H2,1-4H3
InChIKeyIPSVJQPCNVKOKS-UHFFFAOYSA-N
XLogP2.03
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-3-methoxypropan-1-amine?
The IUPAC name of N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-3-methoxypropan-1-amine (CID 43205172) is N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-3-methoxypropan-1-amine.
What is the SMILES notation for N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-3-methoxypropan-1-amine?
The canonical SMILES for N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-3-methoxypropan-1-amine is COCCCNC(C)c1cnc2cc(C)nn2c1C.
What is the InChIKey of N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-3-methoxypropan-1-amine?
The InChIKey is IPSVJQPCNVKOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10-8-14-16-9-13(12(3)18(14)17-10)11(2)15-6-5-7-19-4/h8-9,11,15H,5-7H2,1-4H3.
What are the key properties of N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-3-methoxypropan-1-amine?
N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-3-methoxypropan-1-amine has a molecular weight of 262.36 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-3-methoxypropan-1-amine is sourced from PubChem (CID 43205172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).