4-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine

C15H20N8O — CID 133445534

IUPAC4-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine
SMILESCCc1nn(C)c(OC)c1CNc1cc(-n2cccn2)nc(N)n1
InChIInChI=1S/C15H20N8O/c1-4-11-10(14(24-3)22(2)21-11)9-17-12-8-13(20-15(16)19-12)23-7-5-6-18-23/h5-8H,4,9H2,1-3H3,(H3,16,17,19,20)
InChIKeyOUWGFJXMMPQBBE-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.16
Rot. Bonds6

About 4-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine

4-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine (PubChem CID 133445534) has the molecular formula C15H20N8O and a molecular weight of 328.38 g/mol. Its IUPAC name is 4-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine
PubChem CID133445534
Molecular FormulaC15H20N8O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC Name4-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine
SMILESCCc1nn(C)c(OC)c1CNc1cc(-n2cccn2)nc(N)n1
InChIInChI=1S/C15H20N8O/c1-4-11-10(14(24-3)22(2)21-11)9-17-12-8-13(20-15(16)19-12)23-7-5-6-18-23/h5-8H,4,9H2,1-3H3,(H3,16,17,19,20)
InChIKeyOUWGFJXMMPQBBE-UHFFFAOYSA-N
XLogP1.16
TPSA108.70 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine (CID 133445534) is 4-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine is CCc1nn(C)c(OC)c1CNc1cc(-n2cccn2)nc(N)n1.
What is the InChIKey of 4-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine?
The InChIKey is OUWGFJXMMPQBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N8O/c1-4-11-10(14(24-3)22(2)21-11)9-17-12-8-13(20-15(16)19-12)23-7-5-6-18-23/h5-8H,4,9H2,1-3H3,(H3,16,17,19,20).
What are the key properties of 4-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine?
4-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine has a molecular weight of 328.38 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 133445534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).