N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-6-morpholin-4-ylpyrimidin-4-amine

C14H21F2N5O — CID 171358912

IUPACN-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-6-morpholin-4-ylpyrimidin-4-amine
SMILESFC1(F)CNCC[C@@H]1CNc1cc(N2CCOCC2)ncn1
InChIInChI=1S/C14H21F2N5O/c15-14(16)9-17-2-1-11(14)8-18-12-7-13(20-10-19-12)21-3-5-22-6-4-21/h7,10-11,17H,1-6,8-9H2,(H,18,19,20)/t11-/m1/s1
InChIKeyLWAGRPUXVCNZPL-LLVKDONJSA-N
MW313.35 g/mol
LogP0.97
Rot. Bonds4

About N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-6-morpholin-4-ylpyrimidin-4-amine

N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-6-morpholin-4-ylpyrimidin-4-amine (PubChem CID 171358912) has the molecular formula C14H21F2N5O and a molecular weight of 313.35 g/mol. Its IUPAC name is N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-6-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-6-morpholin-4-ylpyrimidin-4-amine
PubChem CID171358912
Molecular FormulaC14H21F2N5O
Molecular Weight313.35 g/mol
Exact Mass313.17
IUPAC NameN-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-6-morpholin-4-ylpyrimidin-4-amine
SMILESFC1(F)CNCC[C@@H]1CNc1cc(N2CCOCC2)ncn1
InChIInChI=1S/C14H21F2N5O/c15-14(16)9-17-2-1-11(14)8-18-12-7-13(20-10-19-12)21-3-5-22-6-4-21/h7,10-11,17H,1-6,8-9H2,(H,18,19,20)/t11-/m1/s1
InChIKeyLWAGRPUXVCNZPL-LLVKDONJSA-N
XLogP0.97
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-6-morpholin-4-ylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-6-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-6-morpholin-4-ylpyrimidin-4-amine (CID 171358912) is N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-6-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-6-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-6-morpholin-4-ylpyrimidin-4-amine is FC1(F)CNCC[C@@H]1CNc1cc(N2CCOCC2)ncn1.
What is the InChIKey of N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-6-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is LWAGRPUXVCNZPL-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21F2N5O/c15-14(16)9-17-2-1-11(14)8-18-12-7-13(20-10-19-12)21-3-5-22-6-4-21/h7,10-11,17H,1-6,8-9H2,(H,18,19,20)/t11-/m1/s1.
What are the key properties of N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-6-morpholin-4-ylpyrimidin-4-amine?
N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-6-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 313.35 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-6-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 171358912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).