4-cyclopropyl-6-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-2-methylsulfanylpyrimidine

C18H22FN5S — CID 166601340

IUPAC4-cyclopropyl-6-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-2-methylsulfanylpyrimidine
SMILESCSc1nc(C2CC2)cc(N2CCN(Cc3ncccc3F)CC2)n1
InChIInChI=1S/C18H22FN5S/c1-25-18-21-15(13-4-5-13)11-17(22-18)24-9-7-23(8-10-24)12-16-14(19)3-2-6-20-16/h2-3,6,11,13H,4-5,7-10,12H2,1H3
InChIKeyVBDYKAHCUDFDMT-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.93
Rot. Bonds5

About 4-cyclopropyl-6-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-2-methylsulfanylpyrimidine

4-cyclopropyl-6-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-2-methylsulfanylpyrimidine (PubChem CID 166601340) has the molecular formula C18H22FN5S and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-cyclopropyl-6-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-6-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-2-methylsulfanylpyrimidine
PubChem CID166601340
Molecular FormulaC18H22FN5S
Molecular Weight359.47 g/mol
Exact Mass359.16
IUPAC Name4-cyclopropyl-6-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-2-methylsulfanylpyrimidine
SMILESCSc1nc(C2CC2)cc(N2CCN(Cc3ncccc3F)CC2)n1
InChIInChI=1S/C18H22FN5S/c1-25-18-21-15(13-4-5-13)11-17(22-18)24-9-7-23(8-10-24)12-16-14(19)3-2-6-20-16/h2-3,6,11,13H,4-5,7-10,12H2,1H3
InChIKeyVBDYKAHCUDFDMT-UHFFFAOYSA-N
XLogP2.93
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-cyclopropyl-6-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-2-methylsulfanylpyrimidine 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-cyclopropyl-6-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-2-methylsulfanylpyrimidine?
The IUPAC name of 4-cyclopropyl-6-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-2-methylsulfanylpyrimidine (CID 166601340) is 4-cyclopropyl-6-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-cyclopropyl-6-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-cyclopropyl-6-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-2-methylsulfanylpyrimidine is CSc1nc(C2CC2)cc(N2CCN(Cc3ncccc3F)CC2)n1.
What is the InChIKey of 4-cyclopropyl-6-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-2-methylsulfanylpyrimidine?
The InChIKey is VBDYKAHCUDFDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5S/c1-25-18-21-15(13-4-5-13)11-17(22-18)24-9-7-23(8-10-24)12-16-14(19)3-2-6-20-16/h2-3,6,11,13H,4-5,7-10,12H2,1H3.
What are the key properties of 4-cyclopropyl-6-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-2-methylsulfanylpyrimidine?
4-cyclopropyl-6-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-2-methylsulfanylpyrimidine has a molecular weight of 359.47 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-2-methylsulfanylpyrimidine is sourced from PubChem (CID 166601340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).