N-(1,3-dimethylpiperidin-4-yl)-6-ethyl-5-fluoro-N-methylpyrimidin-4-amine

C14H23FN4 — CID 133418799

IUPACN-(1,3-dimethylpiperidin-4-yl)-6-ethyl-5-fluoro-N-methylpyrimidin-4-amine
SMILESCCc1ncnc(N(C)C2CCN(C)CC2C)c1F
InChIInChI=1S/C14H23FN4/c1-5-11-13(15)14(17-9-16-11)19(4)12-6-7-18(3)8-10(12)2/h9-10,12H,5-8H2,1-4H3
InChIKeyIGQFPURTYKSNLC-UHFFFAOYSA-N
MW266.36 g/mol
LogP1.95
Rot. Bonds3

About N-(1,3-dimethylpiperidin-4-yl)-6-ethyl-5-fluoro-N-methylpyrimidin-4-amine

N-(1,3-dimethylpiperidin-4-yl)-6-ethyl-5-fluoro-N-methylpyrimidin-4-amine (PubChem CID 133418799) has the molecular formula C14H23FN4 and a molecular weight of 266.36 g/mol. Its IUPAC name is N-(1,3-dimethylpiperidin-4-yl)-6-ethyl-5-fluoro-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1,3-dimethylpiperidin-4-yl)-6-ethyl-5-fluoro-N-methylpyrimidin-4-amine
PubChem CID133418799
Molecular FormulaC14H23FN4
Molecular Weight266.36 g/mol
Exact Mass266.19
IUPAC NameN-(1,3-dimethylpiperidin-4-yl)-6-ethyl-5-fluoro-N-methylpyrimidin-4-amine
SMILESCCc1ncnc(N(C)C2CCN(C)CC2C)c1F
InChIInChI=1S/C14H23FN4/c1-5-11-13(15)14(17-9-16-11)19(4)12-6-7-18(3)8-10(12)2/h9-10,12H,5-8H2,1-4H3
InChIKeyIGQFPURTYKSNLC-UHFFFAOYSA-N
XLogP1.95
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpiperidin-4-yl)-6-ethyl-5-fluoro-N-methylpyrimidin-4-amine?
The IUPAC name of N-(1,3-dimethylpiperidin-4-yl)-6-ethyl-5-fluoro-N-methylpyrimidin-4-amine (CID 133418799) is N-(1,3-dimethylpiperidin-4-yl)-6-ethyl-5-fluoro-N-methylpyrimidin-4-amine.
What is the SMILES notation for N-(1,3-dimethylpiperidin-4-yl)-6-ethyl-5-fluoro-N-methylpyrimidin-4-amine?
The canonical SMILES for N-(1,3-dimethylpiperidin-4-yl)-6-ethyl-5-fluoro-N-methylpyrimidin-4-amine is CCc1ncnc(N(C)C2CCN(C)CC2C)c1F.
What is the InChIKey of N-(1,3-dimethylpiperidin-4-yl)-6-ethyl-5-fluoro-N-methylpyrimidin-4-amine?
The InChIKey is IGQFPURTYKSNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN4/c1-5-11-13(15)14(17-9-16-11)19(4)12-6-7-18(3)8-10(12)2/h9-10,12H,5-8H2,1-4H3.
What are the key properties of N-(1,3-dimethylpiperidin-4-yl)-6-ethyl-5-fluoro-N-methylpyrimidin-4-amine?
N-(1,3-dimethylpiperidin-4-yl)-6-ethyl-5-fluoro-N-methylpyrimidin-4-amine has a molecular weight of 266.36 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpiperidin-4-yl)-6-ethyl-5-fluoro-N-methylpyrimidin-4-amine is sourced from PubChem (CID 133418799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).