N-ethyl-6-(3-propan-2-ylpyrazol-1-yl)-7H-purin-2-amine

C13H17N7 — CID 114786701

IUPACN-ethyl-6-(3-propan-2-ylpyrazol-1-yl)-7H-purin-2-amine
SMILESCCNc1nc(-n2ccc(C(C)C)n2)c2[nH]cnc2n1
InChIInChI=1S/C13H17N7/c1-4-14-13-17-11-10(15-7-16-11)12(18-13)20-6-5-9(19-20)8(2)3/h5-8H,4H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyIRVBSBBGFZYOAC-UHFFFAOYSA-N
MW271.33 g/mol
LogP2.09
Rot. Bonds4

About N-ethyl-6-(3-propan-2-ylpyrazol-1-yl)-7H-purin-2-amine

N-ethyl-6-(3-propan-2-ylpyrazol-1-yl)-7H-purin-2-amine (PubChem CID 114786701) has the molecular formula C13H17N7 and a molecular weight of 271.33 g/mol. Its IUPAC name is N-ethyl-6-(3-propan-2-ylpyrazol-1-yl)-7H-purin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-(3-propan-2-ylpyrazol-1-yl)-7H-purin-2-amine
PubChem CID114786701
Molecular FormulaC13H17N7
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC NameN-ethyl-6-(3-propan-2-ylpyrazol-1-yl)-7H-purin-2-amine
SMILESCCNc1nc(-n2ccc(C(C)C)n2)c2[nH]cnc2n1
InChIInChI=1S/C13H17N7/c1-4-14-13-17-11-10(15-7-16-11)12(18-13)20-6-5-9(19-20)8(2)3/h5-8H,4H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyIRVBSBBGFZYOAC-UHFFFAOYSA-N
XLogP2.09
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-6-(3,4,5-trimethylpiperazin-1-yl)-7H-purin-2-amine
CID 114786604
1-[1-[2-(ethylamino)-7H-purin-6-yl]pyrrolidin-3-yl]ethanol
CID 114786006
6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethyl-7H-purin-2-amine
CID 114786743
N-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-7H-purin-2-amine
CID 114786674
6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-7H-purin-2-amine
CID 114785656
N-ethyl-6-(2-methylpiperidin-1-yl)-7H-purin-2-amine
CID 114783570
6-(2,3-dimethylpiperidin-1-yl)-N-ethyl-7H-purin-2-amine
CID 114784944
6-N-cyclopropyl-2-N-ethyl-6-N-methyl-7H-purine-2,6-diamine
CID 114783774
2-N-ethyl-6-N-(4-ethylphenyl)-7H-purine-2,6-diamine
CID 114783510
6-N-[2-(diethylamino)ethyl]-2-N-ethyl-7H-purine-2,6-diamine
CID 114783663
2-N-ethyl-6-N-[2-(1-methylpyrazol-3-yl)ethyl]-7H-purine-2,6-diamine
CID 106106749
1-[2-(ethylamino)-7H-purin-6-yl]-1,4-diazepan-5-one
CID 114785109

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(3-propan-2-ylpyrazol-1-yl)-7H-purin-2-amine?
The IUPAC name of N-ethyl-6-(3-propan-2-ylpyrazol-1-yl)-7H-purin-2-amine (CID 114786701) is N-ethyl-6-(3-propan-2-ylpyrazol-1-yl)-7H-purin-2-amine.
What is the SMILES notation for N-ethyl-6-(3-propan-2-ylpyrazol-1-yl)-7H-purin-2-amine?
The canonical SMILES for N-ethyl-6-(3-propan-2-ylpyrazol-1-yl)-7H-purin-2-amine is CCNc1nc(-n2ccc(C(C)C)n2)c2[nH]cnc2n1.
What is the InChIKey of N-ethyl-6-(3-propan-2-ylpyrazol-1-yl)-7H-purin-2-amine?
The InChIKey is IRVBSBBGFZYOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7/c1-4-14-13-17-11-10(15-7-16-11)12(18-13)20-6-5-9(19-20)8(2)3/h5-8H,4H2,1-3H3,(H2,14,15,16,17,18).
What are the key properties of N-ethyl-6-(3-propan-2-ylpyrazol-1-yl)-7H-purin-2-amine?
N-ethyl-6-(3-propan-2-ylpyrazol-1-yl)-7H-purin-2-amine has a molecular weight of 271.33 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(3-propan-2-ylpyrazol-1-yl)-7H-purin-2-amine is sourced from PubChem (CID 114786701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).