N-[2-(2-fluorophenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine

C18H23FN4 — CID 112894597

IUPACN-[2-(2-fluorophenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCC1CCCN(c2ccnc(NCCc3ccccc3F)n2)C1
InChIInChI=1S/C18H23FN4/c1-14-5-4-12-23(13-14)17-9-11-21-18(22-17)20-10-8-15-6-2-3-7-16(15)19/h2-3,6-7,9,11,14H,4-5,8,10,12-13H2,1H3,(H,20,21,22)
InChIKeyKWAKACXSVOIUSU-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.51
Rot. Bonds5

About N-[2-(2-fluorophenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine

N-[2-(2-fluorophenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine (PubChem CID 112894597) has the molecular formula C18H23FN4 and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
PubChem CID112894597
Molecular FormulaC18H23FN4
Molecular Weight314.41 g/mol
Exact Mass314.19
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCC1CCCN(c2ccnc(NCCc3ccccc3F)n2)C1
InChIInChI=1S/C18H23FN4/c1-14-5-4-12-23(13-14)17-9-11-21-18(22-17)20-10-8-15-6-2-3-7-16(15)19/h2-3,6-7,9,11,14H,4-5,8,10,12-13H2,1H3,(H,20,21,22)
InChIKeyKWAKACXSVOIUSU-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112901009
N-[2-(2-fluorophenyl)ethyl]-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109308302
N-tert-butyl-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112899803
N-(2-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112900997
N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 62959074
N-[2-(2-fluorophenyl)ethyl]-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909263
N-(3-chloro-4-fluorophenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112901029
[2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109330682
N-[2-(2-fluorophenyl)ethyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112910002
2-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112894601
N-[2-(2-fluorophenyl)ethyl]-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941075
(3S)-1-[2-[(2,3-difluoro-4-methylphenyl)methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 95122099

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine (CID 112894597) is N-[2-(2-fluorophenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine is CC1CCCN(c2ccnc(NCCc3ccccc3F)n2)C1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine?
The InChIKey is KWAKACXSVOIUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4/c1-14-5-4-12-23(13-14)17-9-11-21-18(22-17)20-10-8-15-6-2-3-7-16(15)19/h2-3,6-7,9,11,14H,4-5,8,10,12-13H2,1H3,(H,20,21,22).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine?
N-[2-(2-fluorophenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine has a molecular weight of 314.41 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112894597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).