N-(2,4-difluorophenyl)-4-piperidin-1-ylpyrimidin-2-amine

C15H16F2N4 — CID 112884594

IUPACN-(2,4-difluorophenyl)-4-piperidin-1-ylpyrimidin-2-amine
SMILESFc1ccc(Nc2nccc(N3CCCCC3)n2)c(F)c1
InChIInChI=1S/C15H16F2N4/c16-11-4-5-13(12(17)10-11)19-15-18-7-6-14(20-15)21-8-2-1-3-9-21/h4-7,10H,1-3,8-9H2,(H,18,19,20)
InChIKeySCLZGMVCTSPBOP-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.49
Rot. Bonds3

About N-(2,4-difluorophenyl)-4-piperidin-1-ylpyrimidin-2-amine

N-(2,4-difluorophenyl)-4-piperidin-1-ylpyrimidin-2-amine (PubChem CID 112884594) has the molecular formula C15H16F2N4 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-piperidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-piperidin-1-ylpyrimidin-2-amine
PubChem CID112884594
Molecular FormulaC15H16F2N4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC NameN-(2,4-difluorophenyl)-4-piperidin-1-ylpyrimidin-2-amine
SMILESFc1ccc(Nc2nccc(N3CCCCC3)n2)c(F)c1
InChIInChI=1S/C15H16F2N4/c16-11-4-5-13(12(17)10-11)19-15-18-7-6-14(20-15)21-8-2-1-3-9-21/h4-7,10H,1-3,8-9H2,(H,18,19,20)
InChIKeySCLZGMVCTSPBOP-UHFFFAOYSA-N
XLogP3.49
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-difluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine
CID 112894310
N-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883986
N-(3-chloro-4-fluorophenyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884544
N-(2-bromophenyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884584
N-(2,4-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868570
4-(azepan-1-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine
CID 112901537
N-(2,3-dimethylphenyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884524
4-(azepan-1-yl)-N-(2-ethoxyphenyl)pyrimidin-2-amine
CID 112901569
[4-(azocan-1-yl)pyrimidin-2-yl]hydrazine
CID 80932713
N-(2-phenoxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883965
4-(azepan-1-yl)-N-(4-bromophenyl)pyrimidin-2-amine
CID 112901564
2-N-(2,4-difluorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine
CID 112899159

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-piperidin-1-ylpyrimidin-2-amine?
The IUPAC name of N-(2,4-difluorophenyl)-4-piperidin-1-ylpyrimidin-2-amine (CID 112884594) is N-(2,4-difluorophenyl)-4-piperidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-piperidin-1-ylpyrimidin-2-amine?
The canonical SMILES for N-(2,4-difluorophenyl)-4-piperidin-1-ylpyrimidin-2-amine is Fc1ccc(Nc2nccc(N3CCCCC3)n2)c(F)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-piperidin-1-ylpyrimidin-2-amine?
The InChIKey is SCLZGMVCTSPBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4/c16-11-4-5-13(12(17)10-11)19-15-18-7-6-14(20-15)21-8-2-1-3-9-21/h4-7,10H,1-3,8-9H2,(H,18,19,20).
What are the key properties of N-(2,4-difluorophenyl)-4-piperidin-1-ylpyrimidin-2-amine?
N-(2,4-difluorophenyl)-4-piperidin-1-ylpyrimidin-2-amine has a molecular weight of 290.32 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-piperidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 112884594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).