6-ethyl-2-methyl-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyrimidin-4-amine

C18H21N5 — CID 166363371

IUPAC6-ethyl-2-methyl-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyrimidin-4-amine
SMILESCCc1cc(NCc2cc(-c3ccccc3)nn2C)nc(C)n1
InChIInChI=1S/C18H21N5/c1-4-15-10-18(21-13(2)20-15)19-12-16-11-17(22-23(16)3)14-8-6-5-7-9-14/h5-11H,4,12H2,1-3H3,(H,19,20,21)
InChIKeyURUVGNHBRWUDKV-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.36
Rot. Bonds5

About 6-ethyl-2-methyl-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyrimidin-4-amine

6-ethyl-2-methyl-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyrimidin-4-amine (PubChem CID 166363371) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 6-ethyl-2-methyl-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-2-methyl-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyrimidin-4-amine
PubChem CID166363371
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name6-ethyl-2-methyl-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyrimidin-4-amine
SMILESCCc1cc(NCc2cc(-c3ccccc3)nn2C)nc(C)n1
InChIInChI=1S/C18H21N5/c1-4-15-10-18(21-13(2)20-15)19-12-16-11-17(22-23(16)3)14-8-6-5-7-9-14/h5-11H,4,12H2,1-3H3,(H,19,20,21)
InChIKeyURUVGNHBRWUDKV-UHFFFAOYSA-N
XLogP3.36
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-ethyl-2-methyl-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]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

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyl-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-2-methyl-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyrimidin-4-amine (CID 166363371) is 6-ethyl-2-methyl-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-2-methyl-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-2-methyl-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyrimidin-4-amine is CCc1cc(NCc2cc(-c3ccccc3)nn2C)nc(C)n1.
What is the InChIKey of 6-ethyl-2-methyl-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyrimidin-4-amine?
The InChIKey is URUVGNHBRWUDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-4-15-10-18(21-13(2)20-15)19-12-16-11-17(22-23(16)3)14-8-6-5-7-9-14/h5-11H,4,12H2,1-3H3,(H,19,20,21).
What are the key properties of 6-ethyl-2-methyl-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyrimidin-4-amine?
6-ethyl-2-methyl-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyrimidin-4-amine has a molecular weight of 307.40 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 166363371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).