N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine

C12H16FN5 — CID 103880468

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NCc2cnn(C)c2C)c1F
InChIInChI=1S/C12H16FN5/c1-4-10-11(13)12(16-7-15-10)14-5-9-6-17-18(3)8(9)2/h6-7H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyZHLGDNHVWCRULD-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.83
Rot. Bonds4

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine

N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine (PubChem CID 103880468) has the molecular formula C12H16FN5 and a molecular weight of 249.29 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
PubChem CID103880468
Molecular FormulaC12H16FN5
Molecular Weight249.29 g/mol
Exact Mass249.14
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NCc2cnn(C)c2C)c1F
InChIInChI=1S/C12H16FN5/c1-4-10-11(13)12(16-7-15-10)14-5-9-6-17-18(3)8(9)2/h6-7H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyZHLGDNHVWCRULD-UHFFFAOYSA-N
XLogP1.83
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-ethyl-5-fluoropyrimidin-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 N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine (CID 103880468) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine is CCc1ncnc(NCc2cnn(C)c2C)c1F.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The InChIKey is ZHLGDNHVWCRULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN5/c1-4-10-11(13)12(16-7-15-10)14-5-9-6-17-18(3)8(9)2/h6-7H,4-5H2,1-3H3,(H,14,15,16).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine has a molecular weight of 249.29 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 103880468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).