5-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-4-phenylpyrimidin-2-amine

C18H23FN4 — CID 174567293

IUPAC5-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-4-phenylpyrimidin-2-amine
SMILESCN1CCC(CCNc2ncc(F)c(-c3ccccc3)n2)CC1
InChIInChI=1S/C18H23FN4/c1-23-11-8-14(9-12-23)7-10-20-18-21-13-16(19)17(22-18)15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3,(H,20,21,22)
InChIKeyFNYCCNIBCNALGA-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.43
Rot. Bonds5

About 5-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-4-phenylpyrimidin-2-amine

5-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-4-phenylpyrimidin-2-amine (PubChem CID 174567293) has the molecular formula C18H23FN4 and a molecular weight of 314.41 g/mol. Its IUPAC name is 5-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-4-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-4-phenylpyrimidin-2-amine
PubChem CID174567293
Molecular FormulaC18H23FN4
Molecular Weight314.41 g/mol
Exact Mass314.19
IUPAC Name5-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-4-phenylpyrimidin-2-amine
SMILESCN1CCC(CCNc2ncc(F)c(-c3ccccc3)n2)CC1
InChIInChI=1S/C18H23FN4/c1-23-11-8-14(9-12-23)7-10-20-18-21-13-16(19)17(22-18)15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3,(H,20,21,22)
InChIKeyFNYCCNIBCNALGA-UHFFFAOYSA-N
XLogP3.43
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-(2-phenylethyl)-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-amine
CID 58603403
4-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 114516944
N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 134707239
5-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridin-2-amine
CID 114515987
4-N-(2-cyclopropylethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80847389
6-[2-(1-methylpiperidin-4-yl)ethylamino]pyridine-2-carboxylic acid
CID 114515932
2-N-ethyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine
CID 114517041
2-N-ethyl-5-fluoro-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine
CID 80812414
5-chloro-N-[3-(4-ethyl-1-methylpiperidin-4-yl)propyl]-4-phenylpyrimidin-2-amine
CID 141172126
2-N-methyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine
CID 114516993
5-fluoro-4-N-methyl-4-N-(1-methylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80766794
2-[5-chloro-2-[2-(1-methylpiperidin-4-yl)ethylamino]pyrimidin-4-yl]-1-benzothiophene-4-carboxamide
CID 68856046

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-4-phenylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-4-phenylpyrimidin-2-amine (CID 174567293) is 5-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-4-phenylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-4-phenylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-4-phenylpyrimidin-2-amine is CN1CCC(CCNc2ncc(F)c(-c3ccccc3)n2)CC1.
What is the InChIKey of 5-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-4-phenylpyrimidin-2-amine?
The InChIKey is FNYCCNIBCNALGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4/c1-23-11-8-14(9-12-23)7-10-20-18-21-13-16(19)17(22-18)15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3,(H,20,21,22).
What are the key properties of 5-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-4-phenylpyrimidin-2-amine?
5-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-4-phenylpyrimidin-2-amine has a molecular weight of 314.41 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-4-phenylpyrimidin-2-amine is sourced from PubChem (CID 174567293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).