N-methyl-6-(1-propylpyrazol-4-yl)oxy-7H-purin-2-amine

C12H15N7O — CID 114788091

IUPACN-methyl-6-(1-propylpyrazol-4-yl)oxy-7H-purin-2-amine
SMILESCCCn1cc(Oc2nc(NC)nc3nc[nH]c23)cn1
InChIInChI=1S/C12H15N7O/c1-3-4-19-6-8(5-16-19)20-11-9-10(15-7-14-9)17-12(13-2)18-11/h5-7H,3-4H2,1-2H3,(H2,13,14,15,17,18)
InChIKeyGHLSDBCNCZPEKX-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.79
Rot. Bonds5

About N-methyl-6-(1-propylpyrazol-4-yl)oxy-7H-purin-2-amine

N-methyl-6-(1-propylpyrazol-4-yl)oxy-7H-purin-2-amine (PubChem CID 114788091) has the molecular formula C12H15N7O and a molecular weight of 273.30 g/mol. Its IUPAC name is N-methyl-6-(1-propylpyrazol-4-yl)oxy-7H-purin-2-amine.

Molecular Properties

Compound NameN-methyl-6-(1-propylpyrazol-4-yl)oxy-7H-purin-2-amine
PubChem CID114788091
Molecular FormulaC12H15N7O
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC NameN-methyl-6-(1-propylpyrazol-4-yl)oxy-7H-purin-2-amine
SMILESCCCn1cc(Oc2nc(NC)nc3nc[nH]c23)cn1
InChIInChI=1S/C12H15N7O/c1-3-4-19-6-8(5-16-19)20-11-9-10(15-7-14-9)17-12(13-2)18-11/h5-7H,3-4H2,1-2H3,(H2,13,14,15,17,18)
InChIKeyGHLSDBCNCZPEKX-UHFFFAOYSA-N
XLogP1.79
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-6-(4-propylphenoxy)-7H-purin-2-amine
CID 114787620
N-methyl-4-propoxy-6-(1-propylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine
CID 116806261
6-(2-butoxyethoxy)-N-methyl-7H-purin-2-amine
CID 114786789
N-ethyl-6-[(6-methyl-3-pyridinyl)oxy]-7H-purin-2-amine
CID 114787606
N-methyl-5-propan-2-yl-6-(1-propylpyrazol-4-yl)oxypyrimidin-4-amine
CID 116806201
N-methyl-6-(1-propylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774804
N,5-dimethyl-2-propan-2-yl-6-(1-propylpyrazol-4-yl)oxypyrimidin-4-amine
CID 116806255
6-(2-cyclopropylethoxy)-N-methyl-7H-purin-2-amine
CID 106207558
N-ethyl-4-(1-propylpyrazol-4-yl)oxythieno[2,3-d]pyrimidin-2-amine
CID 103333526
4-propoxy-1-propylpyrazole
CID 116805185
6-(3,4-difluorophenoxy)-N-ethyl-7H-purin-2-amine
CID 114787415
4-methyl-2-(1-propylpyrazol-4-yl)oxypyridin-3-amine
CID 116800363

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(1-propylpyrazol-4-yl)oxy-7H-purin-2-amine?
The IUPAC name of N-methyl-6-(1-propylpyrazol-4-yl)oxy-7H-purin-2-amine (CID 114788091) is N-methyl-6-(1-propylpyrazol-4-yl)oxy-7H-purin-2-amine.
What is the SMILES notation for N-methyl-6-(1-propylpyrazol-4-yl)oxy-7H-purin-2-amine?
The canonical SMILES for N-methyl-6-(1-propylpyrazol-4-yl)oxy-7H-purin-2-amine is CCCn1cc(Oc2nc(NC)nc3nc[nH]c23)cn1.
What is the InChIKey of N-methyl-6-(1-propylpyrazol-4-yl)oxy-7H-purin-2-amine?
The InChIKey is GHLSDBCNCZPEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7O/c1-3-4-19-6-8(5-16-19)20-11-9-10(15-7-14-9)17-12(13-2)18-11/h5-7H,3-4H2,1-2H3,(H2,13,14,15,17,18).
What are the key properties of N-methyl-6-(1-propylpyrazol-4-yl)oxy-7H-purin-2-amine?
N-methyl-6-(1-propylpyrazol-4-yl)oxy-7H-purin-2-amine has a molecular weight of 273.30 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(1-propylpyrazol-4-yl)oxy-7H-purin-2-amine is sourced from PubChem (CID 114788091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).