6-chloro-N-(3-imidazol-1-ylpropyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C12H14ClN7 — CID 82460088

IUPAC6-chloro-N-(3-imidazol-1-ylpropyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NCCCn3ccnc3)nc(Cl)nc21
InChIInChI=1S/C12H14ClN7/c1-19-11-9(7-16-19)10(17-12(13)18-11)15-3-2-5-20-6-4-14-8-20/h4,6-8H,2-3,5H2,1H3,(H,15,17,18)
InChIKeyYLVFUXLWTROWJP-UHFFFAOYSA-N
MW291.75 g/mol
LogP1.72
Rot. Bonds5

About 6-chloro-N-(3-imidazol-1-ylpropyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

6-chloro-N-(3-imidazol-1-ylpropyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 82460088) has the molecular formula C12H14ClN7 and a molecular weight of 291.75 g/mol. Its IUPAC name is 6-chloro-N-(3-imidazol-1-ylpropyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3-imidazol-1-ylpropyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID82460088
Molecular FormulaC12H14ClN7
Molecular Weight291.75 g/mol
Exact Mass291.10
IUPAC Name6-chloro-N-(3-imidazol-1-ylpropyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NCCCn3ccnc3)nc(Cl)nc21
InChIInChI=1S/C12H14ClN7/c1-19-11-9(7-16-19)10(17-12(13)18-11)15-3-2-5-20-6-4-14-8-20/h4,6-8H,2-3,5H2,1H3,(H,15,17,18)
InChIKeyYLVFUXLWTROWJP-UHFFFAOYSA-N
XLogP1.72
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.75
LogP ≤ 51.72
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

N-(3-imidazol-1-ylpropyl)-1-methyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine
CID 142715204
6-chloro-N-hexyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 82460054
N-ethyl-6-(imidazol-1-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63220953
2-chloro-N-(3-imidazol-1-ylpropyl)pteridin-4-amine
CID 82459615
2-chloro-N-(3-imidazol-1-ylpropyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
CID 114268167
4,6-dichloro-N-(4-imidazol-1-ylbutyl)-1,3,5-triazin-2-amine
CID 55124703
6-chloro-1-methyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 58345954
5-chloro-4-N-(3-imidazol-1-ylpropyl)-2-N-methylpyrimidine-2,4-diamine
CID 80753932
4-chloro-N-(3-imidazol-1-ylpropyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62869150
N-(3-imidazol-1-ylpropyl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 35475062
4-N,6-N-bis(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19154189
N-(4-imidazol-1-ylbutyl)-3,6-dimethylpyrazin-2-amine
CID 65416898

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-imidazol-1-ylpropyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(3-imidazol-1-ylpropyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 82460088) is 6-chloro-N-(3-imidazol-1-ylpropyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(3-imidazol-1-ylpropyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(3-imidazol-1-ylpropyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(NCCCn3ccnc3)nc(Cl)nc21.
What is the InChIKey of 6-chloro-N-(3-imidazol-1-ylpropyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is YLVFUXLWTROWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN7/c1-19-11-9(7-16-19)10(17-12(13)18-11)15-3-2-5-20-6-4-14-8-20/h4,6-8H,2-3,5H2,1H3,(H,15,17,18).
What are the key properties of 6-chloro-N-(3-imidazol-1-ylpropyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
6-chloro-N-(3-imidazol-1-ylpropyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 291.75 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-imidazol-1-ylpropyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 82460088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).