9-propan-2-yl-N-propyl-8-(1,3,5-trimethylpyrazol-4-yl)purin-6-amine

C17H25N7 — CID 117090334

IUPAC9-propan-2-yl-N-propyl-8-(1,3,5-trimethylpyrazol-4-yl)purin-6-amine
SMILESCCCNc1ncnc2c1nc(-c1c(C)nn(C)c1C)n2C(C)C
InChIInChI=1S/C17H25N7/c1-7-8-18-15-14-17(20-9-19-15)24(10(2)3)16(21-14)13-11(4)22-23(6)12(13)5/h9-10H,7-8H2,1-6H3,(H,18,19,20)
InChIKeyRLIYQXUDANVGNP-UHFFFAOYSA-N
MW327.44 g/mol
LogP3.25
Rot. Bonds5

About 9-propan-2-yl-N-propyl-8-(1,3,5-trimethylpyrazol-4-yl)purin-6-amine

9-propan-2-yl-N-propyl-8-(1,3,5-trimethylpyrazol-4-yl)purin-6-amine (PubChem CID 117090334) has the molecular formula C17H25N7 and a molecular weight of 327.44 g/mol. Its IUPAC name is 9-propan-2-yl-N-propyl-8-(1,3,5-trimethylpyrazol-4-yl)purin-6-amine.

Molecular Properties

Compound Name9-propan-2-yl-N-propyl-8-(1,3,5-trimethylpyrazol-4-yl)purin-6-amine
PubChem CID117090334
Molecular FormulaC17H25N7
Molecular Weight327.44 g/mol
Exact Mass327.22
IUPAC Name9-propan-2-yl-N-propyl-8-(1,3,5-trimethylpyrazol-4-yl)purin-6-amine
SMILESCCCNc1ncnc2c1nc(-c1c(C)nn(C)c1C)n2C(C)C
InChIInChI=1S/C17H25N7/c1-7-8-18-15-14-17(20-9-19-15)24(10(2)3)16(21-14)13-11(4)22-23(6)12(13)5/h9-10H,7-8H2,1-6H3,(H,18,19,20)
InChIKeyRLIYQXUDANVGNP-UHFFFAOYSA-N
XLogP3.25
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-morpholin-4-ylphenyl)-9-propan-2-yl-8-(1,3,5-trimethylpyrazol-4-yl)purin-6-amine
CID 117081075
9-propan-2-yl-6-N-propyl-8-N-pyridin-3-ylpurine-6,8-diamine
CID 117089787
N-(2-morpholin-4-ylethyl)-9-propan-2-yl-8-thiophen-2-ylpurin-6-amine
CID 117090219
5-ethyl-6-methyl-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
CID 62203983
N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)-7H-purin-6-amine
CID 117079518
N-(3-methylbutyl)-6-(1,3,5-trimethylpyrazol-4-yl)quinazolin-4-amine
CID 69015210
6-ethyl-5-methyl-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
CID 63560066
N,N-diethyl-1-[9-propan-2-yl-6-(propylamino)purin-8-yl]piperidine-3-carboxamide
CID 117084509
N-[8-(3-aminophenyl)-9-propan-2-ylpurin-6-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 117081369
N-(1H-benzimidazol-2-ylmethyl)-8-(3,5-dimethyl-1,2-oxazol-4-yl)-9-propan-2-ylpurin-6-amine
CID 117083276
1-[3-[(9-propan-2-yl-8-thiophen-2-ylpurin-6-yl)amino]propyl]pyrrolidin-2-one
CID 117089922
4-[6-[2-[di(propan-2-yl)amino]ethylamino]-9-propan-2-ylpurin-8-yl]benzamide
CID 117080051

Frequently Asked Questions

What is the IUPAC name of 9-propan-2-yl-N-propyl-8-(1,3,5-trimethylpyrazol-4-yl)purin-6-amine?
The IUPAC name of 9-propan-2-yl-N-propyl-8-(1,3,5-trimethylpyrazol-4-yl)purin-6-amine (CID 117090334) is 9-propan-2-yl-N-propyl-8-(1,3,5-trimethylpyrazol-4-yl)purin-6-amine.
What is the SMILES notation for 9-propan-2-yl-N-propyl-8-(1,3,5-trimethylpyrazol-4-yl)purin-6-amine?
The canonical SMILES for 9-propan-2-yl-N-propyl-8-(1,3,5-trimethylpyrazol-4-yl)purin-6-amine is CCCNc1ncnc2c1nc(-c1c(C)nn(C)c1C)n2C(C)C.
What is the InChIKey of 9-propan-2-yl-N-propyl-8-(1,3,5-trimethylpyrazol-4-yl)purin-6-amine?
The InChIKey is RLIYQXUDANVGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7/c1-7-8-18-15-14-17(20-9-19-15)24(10(2)3)16(21-14)13-11(4)22-23(6)12(13)5/h9-10H,7-8H2,1-6H3,(H,18,19,20).
What are the key properties of 9-propan-2-yl-N-propyl-8-(1,3,5-trimethylpyrazol-4-yl)purin-6-amine?
9-propan-2-yl-N-propyl-8-(1,3,5-trimethylpyrazol-4-yl)purin-6-amine has a molecular weight of 327.44 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propan-2-yl-N-propyl-8-(1,3,5-trimethylpyrazol-4-yl)purin-6-amine is sourced from PubChem (CID 117090334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).