4-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine

C19H20F2N6 — CID 133480564

IUPAC4-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine
SMILESNc1c(N2CCC(Cc3ccc(F)c(F)c3)CC2)ncnc1-n1cccn1
InChIInChI=1S/C19H20F2N6/c20-15-3-2-14(11-16(15)21)10-13-4-8-26(9-5-13)18-17(22)19(24-12-23-18)27-7-1-6-25-27/h1-3,6-7,11-13H,4-5,8-10,22H2
InChIKeySUFRNIXCEKJIDA-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.98
Rot. Bonds4

About 4-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine

4-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine (PubChem CID 133480564) has the molecular formula C19H20F2N6 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine.

Molecular Properties

Compound Name4-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine
PubChem CID133480564
Molecular FormulaC19H20F2N6
Molecular Weight370.41 g/mol
Exact Mass370.17
IUPAC Name4-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine
SMILESNc1c(N2CCC(Cc3ccc(F)c(F)c3)CC2)ncnc1-n1cccn1
InChIInChI=1S/C19H20F2N6/c20-15-3-2-14(11-16(15)21)10-13-4-8-26(9-5-13)18-17(22)19(24-12-23-18)27-7-1-6-25-27/h1-3,6-7,11-13H,4-5,8-10,22H2
InChIKeySUFRNIXCEKJIDA-UHFFFAOYSA-N
XLogP2.98
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine?
The IUPAC name of 4-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine (CID 133480564) is 4-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine.
What is the SMILES notation for 4-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine?
The canonical SMILES for 4-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine is Nc1c(N2CCC(Cc3ccc(F)c(F)c3)CC2)ncnc1-n1cccn1.
What is the InChIKey of 4-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine?
The InChIKey is SUFRNIXCEKJIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N6/c20-15-3-2-14(11-16(15)21)10-13-4-8-26(9-5-13)18-17(22)19(24-12-23-18)27-7-1-6-25-27/h1-3,6-7,11-13H,4-5,8-10,22H2.
What are the key properties of 4-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine?
4-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine has a molecular weight of 370.41 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine is sourced from PubChem (CID 133480564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).