N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine

C13H17N7 — CID 110431937

IUPACN-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(C)c2ncnc(NCCCn3ccnc3)c12
InChIInChI=1S/C13H17N7/c1-10-11-12(16-8-17-13(11)19(2)18-10)15-4-3-6-20-7-5-14-9-20/h5,7-9H,3-4,6H2,1-2H3,(H,15,16,17)
InChIKeyQQUWKYNHXDMKAH-UHFFFAOYSA-N
MW271.33 g/mol
LogP1.37
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine

N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 110431937) has the molecular formula C13H17N7 and a molecular weight of 271.33 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID110431937
Molecular FormulaC13H17N7
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC NameN-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(C)c2ncnc(NCCCn3ccnc3)c12
InChIInChI=1S/C13H17N7/c1-10-11-12(16-8-17-13(11)19(2)18-10)15-4-3-6-20-7-5-14-9-20/h5,7-9H,3-4,6H2,1-2H3,(H,15,16,17)
InChIKeyQQUWKYNHXDMKAH-UHFFFAOYSA-N
XLogP1.37
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 51.37
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'-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)hexane-1,6-diamine
CID 70751320
1,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 110431932
1-ethyl-N-(3-imidazol-1-ylpropyl)-3-methylpyrazolo[4,5-d]pyrimidin-7-amine
CID 56730368
6-N-hexadecyl-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19142491
1,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 110431951
6-N-(3-imidazol-1-ylpropyl)-4-N-(3-methoxypropyl)pyrimidine-4,5,6-triamine
CID 19144273
N-(3-imidazol-1-ylpropyl)-8-methylquinazolin-4-amine
CID 75483061
5,6-bis(furan-2-yl)-N-(3-imidazol-1-ylpropyl)furo[2,3-d]pyrimidin-4-amine
CID 4902274
N-(3-imidazol-1-ylpropyl)-6-methylpyrimidin-4-amine
CID 61225498
6-chloro-N-(3-imidazol-1-ylpropyl)-5-nitropyrimidin-4-amine
CID 23477420
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 N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine (CID 110431937) is N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1nn(C)c2ncnc(NCCCn3ccnc3)c12.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is QQUWKYNHXDMKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7/c1-10-11-12(16-8-17-13(11)19(2)18-10)15-4-3-6-20-7-5-14-9-20/h5,7-9H,3-4,6H2,1-2H3,(H,15,16,17).
What are the key properties of N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 271.33 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 110431937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).