[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone

C18H23FN6O — CID 171326509

IUPAC[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCC(F)(CNc3cc(C)nc(C)n3)CC2)cn1
InChIInChI=1S/C18H23FN6O/c1-12-8-16(24-14(3)23-12)22-11-18(19)4-6-25(7-5-18)17(26)15-10-20-13(2)9-21-15/h8-10H,4-7,11H2,1-3H3,(H,22,23,24)
InChIKeyGVJMHEGQKOHNGU-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.25
Rot. Bonds4

About [4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone

[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 171326509) has the molecular formula C18H23FN6O and a molecular weight of 358.42 g/mol. Its IUPAC name is [4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
PubChem CID171326509
Molecular FormulaC18H23FN6O
Molecular Weight358.42 g/mol
Exact Mass358.19
IUPAC Name[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCC(F)(CNc3cc(C)nc(C)n3)CC2)cn1
InChIInChI=1S/C18H23FN6O/c1-12-8-16(24-14(3)23-12)22-11-18(19)4-6-25(7-5-18)17(26)15-10-20-13(2)9-21-15/h8-10H,4-7,11H2,1-3H3,(H,22,23,24)
InChIKeyGVJMHEGQKOHNGU-UHFFFAOYSA-N
XLogP2.25
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of [4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone (CID 171326509) is [4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for [4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for [4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)N2CCC(F)(CNc3cc(C)nc(C)n3)CC2)cn1.
What is the InChIKey of [4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The InChIKey is GVJMHEGQKOHNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN6O/c1-12-8-16(24-14(3)23-12)22-11-18(19)4-6-25(7-5-18)17(26)15-10-20-13(2)9-21-15/h8-10H,4-7,11H2,1-3H3,(H,22,23,24).
What are the key properties of [4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 358.42 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 171326509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).