7-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidine-3,7-diamine

C13H17N7 — CID 170427296

IUPAC7-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidine-3,7-diamine
SMILESCc1cc(NCCCn2ccnc2)n2ncc(N)c2n1
InChIInChI=1S/C13H17N7/c1-10-7-12(20-13(18-10)11(14)8-17-20)16-3-2-5-19-6-4-15-9-19/h4,6-9,16H,2-3,5,14H2,1H3
InChIKeyWUHUKCZSRNAIJR-UHFFFAOYSA-N
MW271.33 g/mol
LogP1.32
Rot. Bonds5

About 7-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidine-3,7-diamine

7-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidine-3,7-diamine (PubChem CID 170427296) has the molecular formula C13H17N7 and a molecular weight of 271.33 g/mol. Its IUPAC name is 7-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidine-3,7-diamine.

Molecular Properties

Compound Name7-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidine-3,7-diamine
PubChem CID170427296
Molecular FormulaC13H17N7
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name7-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidine-3,7-diamine
SMILESCc1cc(NCCCn2ccnc2)n2ncc(N)c2n1
InChIInChI=1S/C13H17N7/c1-10-7-12(20-13(18-10)11(14)8-17-20)16-3-2-5-19-6-4-15-9-19/h4,6-9,16H,2-3,5,14H2,1H3
InChIKeyWUHUKCZSRNAIJR-UHFFFAOYSA-N
XLogP1.32
TPSA86.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(3-imidazol-1-ylpropyl)-4,11,13-trimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine
CID 666095
2-[3-[3-[(3-amino-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]-2H-imidazol-1-yl]ethanol;hydrochloride
CID 173205422
4-ethyl-N-(3-imidazol-1-ylpropyl)-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine
CID 95808195
N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3229916
5-chloro-N-(3-imidazol-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918251
N-(3-imidazol-1-ylpropyl)-4-methylpyrimidin-2-amine
CID 62960707
N-(3-imidazol-1-ylpropyl)-6-methylpyridazin-3-amine
CID 61313104
N-(3-imidazol-1-ylpropyl)pyrimidin-5-amine
CID 82539235
4-N-(3-imidazol-1-ylpropyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80753606
N-(3-imidazol-1-ylpropyl)-6-methylpyrimidin-4-amine
CID 61225498
4-N-(3-imidazol-1-ylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 28994097
CID 89234693
CID 89234693

Frequently Asked Questions

What is the IUPAC name of 7-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidine-3,7-diamine?
The IUPAC name of 7-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidine-3,7-diamine (CID 170427296) is 7-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidine-3,7-diamine.
What is the SMILES notation for 7-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidine-3,7-diamine?
The canonical SMILES for 7-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidine-3,7-diamine is Cc1cc(NCCCn2ccnc2)n2ncc(N)c2n1.
What is the InChIKey of 7-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidine-3,7-diamine?
The InChIKey is WUHUKCZSRNAIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7/c1-10-7-12(20-13(18-10)11(14)8-17-20)16-3-2-5-19-6-4-15-9-19/h4,6-9,16H,2-3,5,14H2,1H3.
What are the key properties of 7-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidine-3,7-diamine?
7-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidine-3,7-diamine has a molecular weight of 271.33 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidine-3,7-diamine is sourced from PubChem (CID 170427296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).