N-[[1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-2,2-difluoroethanamine

C14H17ClF2N4O — CID 86665099

IUPACN-[[1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-2,2-difluoroethanamine
SMILESFC(F)CNCC1CCN(c2nc(Cl)nc3ccoc23)CC1
InChIInChI=1S/C14H17ClF2N4O/c15-14-19-10-3-6-22-12(10)13(20-14)21-4-1-9(2-5-21)7-18-8-11(16)17/h3,6,9,11,18H,1-2,4-5,7-8H2
InChIKeySEYUOSCRSHNFEI-UHFFFAOYSA-N
MW330.77 g/mol
LogP2.95
Rot. Bonds5

About N-[[1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-2,2-difluoroethanamine

N-[[1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-2,2-difluoroethanamine (PubChem CID 86665099) has the molecular formula C14H17ClF2N4O and a molecular weight of 330.77 g/mol. Its IUPAC name is N-[[1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-[[1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-2,2-difluoroethanamine
PubChem CID86665099
Molecular FormulaC14H17ClF2N4O
Molecular Weight330.77 g/mol
Exact Mass330.11
IUPAC NameN-[[1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-2,2-difluoroethanamine
SMILESFC(F)CNCC1CCN(c2nc(Cl)nc3ccoc23)CC1
InChIInChI=1S/C14H17ClF2N4O/c15-14-19-10-3-6-22-12(10)13(20-14)21-4-1-9(2-5-21)7-18-8-11(16)17/h3,6,9,11,18H,1-2,4-5,7-8H2
InChIKeySEYUOSCRSHNFEI-UHFFFAOYSA-N
XLogP2.95
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-2,2-difluoroethanamine?
The IUPAC name of N-[[1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-2,2-difluoroethanamine (CID 86665099) is N-[[1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-2,2-difluoroethanamine.
What is the SMILES notation for N-[[1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-2,2-difluoroethanamine?
The canonical SMILES for N-[[1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-2,2-difluoroethanamine is FC(F)CNCC1CCN(c2nc(Cl)nc3ccoc23)CC1.
What is the InChIKey of N-[[1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-2,2-difluoroethanamine?
The InChIKey is SEYUOSCRSHNFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF2N4O/c15-14-19-10-3-6-22-12(10)13(20-14)21-4-1-9(2-5-21)7-18-8-11(16)17/h3,6,9,11,18H,1-2,4-5,7-8H2.
What are the key properties of N-[[1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-2,2-difluoroethanamine?
N-[[1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-2,2-difluoroethanamine has a molecular weight of 330.77 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-2,2-difluoroethanamine is sourced from PubChem (CID 86665099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).