N-ethyl-4-(2-ethylazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine

C15H24N6 — CID 104693017

IUPACN-ethyl-4-(2-ethylazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCCNc1nc(N2CCCCCC2CC)c2cn[nH]c2n1
InChIInChI=1S/C15H24N6/c1-3-11-8-6-5-7-9-21(11)14-12-10-17-20-13(12)18-15(19-14)16-4-2/h10-11H,3-9H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyIOGVWVQQVHQSAQ-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.94
Rot. Bonds4

About N-ethyl-4-(2-ethylazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine

N-ethyl-4-(2-ethylazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 104693017) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is N-ethyl-4-(2-ethylazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-ethylazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID104693017
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC NameN-ethyl-4-(2-ethylazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCCNc1nc(N2CCCCCC2CC)c2cn[nH]c2n1
InChIInChI=1S/C15H24N6/c1-3-11-8-6-5-7-9-21(11)14-12-10-17-20-13(12)18-15(19-14)16-4-2/h10-11H,3-9H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyIOGVWVQQVHQSAQ-UHFFFAOYSA-N
XLogP2.94
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[6-(methylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]azepan-2-yl]methanol
CID 116640694
5-chloro-N-ethyl-4-(2-ethylazepan-1-yl)pyrimidin-2-amine
CID 104693085
6-chloro-4-(2-propylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 83056224
N-ethyl-4-(3-methoxypiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 102971502
4-(2-ethylazepan-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103329896
N-ethyl-4-(2-ethylazepan-1-yl)-6-methoxy-1,3,5-triazin-2-amine
CID 104693031
[1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]azepan-2-yl]methanol
CID 116640745
5-chloro-4-(2-ethylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 104692996
N-ethyl-6-(2-ethylazepan-1-yl)-2,5-dimethylpyrimidin-4-amine
CID 104693040
N-ethyl-4-(2-ethylpyrrolidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80774727
N-ethyl-4-(2-ethylpyrrolidin-1-yl)-6-methylpyrimidin-2-amine
CID 80798660
[1-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 103325526

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-ethylazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of N-ethyl-4-(2-ethylazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine (CID 104693017) is N-ethyl-4-(2-ethylazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for N-ethyl-4-(2-ethylazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for N-ethyl-4-(2-ethylazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine is CCNc1nc(N2CCCCCC2CC)c2cn[nH]c2n1.
What is the InChIKey of N-ethyl-4-(2-ethylazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is IOGVWVQQVHQSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-3-11-8-6-5-7-9-21(11)14-12-10-17-20-13(12)18-15(19-14)16-4-2/h10-11H,3-9H2,1-2H3,(H2,16,17,18,19,20).
What are the key properties of N-ethyl-4-(2-ethylazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
N-ethyl-4-(2-ethylazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 288.40 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-ethylazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 104693017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).