1-ethyl-N-(3-imidazol-1-ylpropyl)-3-methylpyrazolo[4,5-d]pyrimidin-7-amine

C14H19N7 — CID 56730368

IUPAC1-ethyl-N-(3-imidazol-1-ylpropyl)-3-methylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCn1nc(C)c2ncnc(NCCCn3ccnc3)c21
InChIInChI=1S/C14H19N7/c1-3-21-13-12(11(2)19-21)17-9-18-14(13)16-5-4-7-20-8-6-15-10-20/h6,8-10H,3-5,7H2,1-2H3,(H,16,17,18)
InChIKeyVVXCCJQZPLIKOQ-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.85
Rot. Bonds6

About 1-ethyl-N-(3-imidazol-1-ylpropyl)-3-methylpyrazolo[4,5-d]pyrimidin-7-amine

1-ethyl-N-(3-imidazol-1-ylpropyl)-3-methylpyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 56730368) has the molecular formula C14H19N7 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-ethyl-N-(3-imidazol-1-ylpropyl)-3-methylpyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name1-ethyl-N-(3-imidazol-1-ylpropyl)-3-methylpyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID56730368
Molecular FormulaC14H19N7
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC Name1-ethyl-N-(3-imidazol-1-ylpropyl)-3-methylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCn1nc(C)c2ncnc(NCCCn3ccnc3)c21
InChIInChI=1S/C14H19N7/c1-3-21-13-12(11(2)19-21)17-9-18-14(13)16-5-4-7-20-8-6-15-10-20/h6,8-10H,3-5,7H2,1-2H3,(H,16,17,18)
InChIKeyVVXCCJQZPLIKOQ-UHFFFAOYSA-N
XLogP1.85
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-N,6-N-bis(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19154189
N-(3-imidazol-1-ylpropyl)-8-methylquinazolin-4-amine
CID 75483061
N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110431937
6-N-hexadecyl-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19142491
6-N-(3-imidazol-1-ylpropyl)-4-N-(3-methoxypropyl)pyrimidine-4,5,6-triamine
CID 19144273
6-N-ethyl-4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine
CID 80809043
N-(3-imidazol-1-ylpropyl)-6-methylpyrimidin-4-amine
CID 61225498
6-N-ethyl-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,6-diamine
CID 80753525
N-(3-imidazol-1-ylpropyl)-1-methylimidazol-2-amine
CID 62132911
4-N-butan-2-yl-6-N-(3-imidazol-1-ylpropyl)-5-nitropyrimidine-4,6-diamine
CID 22538928
4-N-ethyl-6-N-(3-imidazol-1-ylpropyl)-4-N-phenylpyrimidine-4,5,6-triamine
CID 22539915
6-N-(3-imidazol-1-ylpropyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
CID 19154120

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(3-imidazol-1-ylpropyl)-3-methylpyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 1-ethyl-N-(3-imidazol-1-ylpropyl)-3-methylpyrazolo[4,5-d]pyrimidin-7-amine (CID 56730368) is 1-ethyl-N-(3-imidazol-1-ylpropyl)-3-methylpyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 1-ethyl-N-(3-imidazol-1-ylpropyl)-3-methylpyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 1-ethyl-N-(3-imidazol-1-ylpropyl)-3-methylpyrazolo[4,5-d]pyrimidin-7-amine is CCn1nc(C)c2ncnc(NCCCn3ccnc3)c21.
What is the InChIKey of 1-ethyl-N-(3-imidazol-1-ylpropyl)-3-methylpyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is VVXCCJQZPLIKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7/c1-3-21-13-12(11(2)19-21)17-9-18-14(13)16-5-4-7-20-8-6-15-10-20/h6,8-10H,3-5,7H2,1-2H3,(H,16,17,18).
What are the key properties of 1-ethyl-N-(3-imidazol-1-ylpropyl)-3-methylpyrazolo[4,5-d]pyrimidin-7-amine?
1-ethyl-N-(3-imidazol-1-ylpropyl)-3-methylpyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 285.35 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(3-imidazol-1-ylpropyl)-3-methylpyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 56730368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).