N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]-2-methylpyrimidin-4-amine

C13H20F2N4 — CID 122141876

IUPACN-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]-2-methylpyrimidin-4-amine
SMILESCc1nccc(NCC2CCN(CC(F)F)CC2)n1
InChIInChI=1S/C13H20F2N4/c1-10-16-5-2-13(18-10)17-8-11-3-6-19(7-4-11)9-12(14)15/h2,5,11-12H,3-4,6-9H2,1H3,(H,16,17,18)
InChIKeyUMHPKBQLCUOAGT-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.17
Rot. Bonds5

About N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]-2-methylpyrimidin-4-amine

N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]-2-methylpyrimidin-4-amine (PubChem CID 122141876) has the molecular formula C13H20F2N4 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]-2-methylpyrimidin-4-amine
PubChem CID122141876
Molecular FormulaC13H20F2N4
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC NameN-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]-2-methylpyrimidin-4-amine
SMILESCc1nccc(NCC2CCN(CC(F)F)CC2)n1
InChIInChI=1S/C13H20F2N4/c1-10-16-5-2-13(18-10)17-8-11-3-6-19(7-4-11)9-12(14)15/h2,5,11-12H,3-4,6-9H2,1H3,(H,16,17,18)
InChIKeyUMHPKBQLCUOAGT-UHFFFAOYSA-N
XLogP2.17
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]-2-methylpyrimidin-4-amine?
The IUPAC name of N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]-2-methylpyrimidin-4-amine (CID 122141876) is N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]-2-methylpyrimidin-4-amine is Cc1nccc(NCC2CCN(CC(F)F)CC2)n1.
What is the InChIKey of N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]-2-methylpyrimidin-4-amine?
The InChIKey is UMHPKBQLCUOAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N4/c1-10-16-5-2-13(18-10)17-8-11-3-6-19(7-4-11)9-12(14)15/h2,5,11-12H,3-4,6-9H2,1H3,(H,16,17,18).
What are the key properties of N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]-2-methylpyrimidin-4-amine?
N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]-2-methylpyrimidin-4-amine has a molecular weight of 270.33 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 122141876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).