N-(3-methoxypropyl)-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

C14H22N4O — CID 56900581

IUPACN-(3-methoxypropyl)-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCCCNc1cc(C(C)C)nc2cc(C)nn12
InChIInChI=1S/C14H22N4O/c1-10(2)12-9-13(15-6-5-7-19-4)18-14(16-12)8-11(3)17-18/h8-10,15H,5-7H2,1-4H3
InChIKeyOCAIFAFDKGYLAS-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.61
Rot. Bonds6

About N-(3-methoxypropyl)-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

N-(3-methoxypropyl)-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56900581) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56900581
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-(3-methoxypropyl)-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCCCNc1cc(C(C)C)nc2cc(C)nn12
InChIInChI=1S/C14H22N4O/c1-10(2)12-9-13(15-6-5-7-19-4)18-14(16-12)8-11(3)17-18/h8-10,15H,5-7H2,1-4H3
InChIKeyOCAIFAFDKGYLAS-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
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-(3-methoxypropyl)-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(3-methoxypropyl)-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 56900581) is N-(3-methoxypropyl)-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(3-methoxypropyl)-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(3-methoxypropyl)-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is COCCCNc1cc(C(C)C)nc2cc(C)nn12.
What is the InChIKey of N-(3-methoxypropyl)-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is OCAIFAFDKGYLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10(2)12-9-13(15-6-5-7-19-4)18-14(16-12)8-11(3)17-18/h8-10,15H,5-7H2,1-4H3.
What are the key properties of N-(3-methoxypropyl)-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
N-(3-methoxypropyl)-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 262.36 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56900581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).