2-benzyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-4-amine

C17H19N5O — CID 133442537

IUPAC2-benzyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-4-amine
SMILESCOCCn1cc(Nc2ccnc(Cc3ccccc3)n2)cn1
InChIInChI=1S/C17H19N5O/c1-23-10-9-22-13-15(12-19-22)20-16-7-8-18-17(21-16)11-14-5-3-2-4-6-14/h2-8,12-13H,9-11H2,1H3,(H,18,20,21)
InChIKeySATDBAKIKGGIFI-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.65
Rot. Bonds7

About 2-benzyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-4-amine

2-benzyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-4-amine (PubChem CID 133442537) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-benzyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-benzyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-4-amine
PubChem CID133442537
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name2-benzyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-4-amine
SMILESCOCCn1cc(Nc2ccnc(Cc3ccccc3)n2)cn1
InChIInChI=1S/C17H19N5O/c1-23-10-9-22-13-15(12-19-22)20-16-7-8-18-17(21-16)11-14-5-3-2-4-6-14/h2-8,12-13H,9-11H2,1H3,(H,18,20,21)
InChIKeySATDBAKIKGGIFI-UHFFFAOYSA-N
XLogP2.65
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-benzyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-benzyl-2-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidine-2,4-diamine
CID 175733728
N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazin-2-amine
CID 60967013
1-(2-methoxyethyl)-N-(1-phenylbutan-2-yl)pyrazol-4-amine
CID 79007290
1-(2-methoxyethyl)-N-(4-phenylbutan-2-yl)pyrazol-4-amine
CID 43729083
6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-3-carbonitrile
CID 60968027
N-[1-(2-methoxyethyl)pyrazol-4-yl]cinnolin-4-amine
CID 63585846
2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-3-carbonitrile
CID 60967015
2,3,5,6-tetrafluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-4-amine
CID 133338800
N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-methyl-3-nitropyridin-2-amine
CID 81139034
N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-propoxypyrimidin-4-amine
CID 66330572
N-(1-benzylpyrazol-4-yl)pyridin-2-amine
CID 82537528
N-ethyl-1-(2-methoxyethyl)pyrazol-4-amine
CID 43729152

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-4-amine?
The IUPAC name of 2-benzyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-4-amine (CID 133442537) is 2-benzyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-benzyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-4-amine?
The canonical SMILES for 2-benzyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-4-amine is COCCn1cc(Nc2ccnc(Cc3ccccc3)n2)cn1.
What is the InChIKey of 2-benzyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-4-amine?
The InChIKey is SATDBAKIKGGIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-23-10-9-22-13-15(12-19-22)20-16-7-8-18-17(21-16)11-14-5-3-2-4-6-14/h2-8,12-13H,9-11H2,1H3,(H,18,20,21).
What are the key properties of 2-benzyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-4-amine?
2-benzyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-4-amine has a molecular weight of 309.37 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 133442537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).