5-(difluoromethoxy)-N-piperidin-4-ylpyrimidin-2-amine;ethane

C14H26F2N4O — CID 177057062

IUPAC5-(difluoromethoxy)-N-piperidin-4-ylpyrimidin-2-amine;ethane
SMILESCC.CC.FC(F)Oc1cnc(NC2CCNCC2)nc1
InChIInChI=1S/C10H14F2N4O.2C2H6/c11-9(12)17-8-5-14-10(15-6-8)16-7-1-3-13-4-2-7;2*1-2/h5-7,9,13H,1-4H2,(H,14,15,16);2*1-2H3
InChIKeyZCMJXEYFINBODI-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.29
Rot. Bonds4

About 5-(difluoromethoxy)-N-piperidin-4-ylpyrimidin-2-amine;ethane

5-(difluoromethoxy)-N-piperidin-4-ylpyrimidin-2-amine;ethane (PubChem CID 177057062) has the molecular formula C14H26F2N4O and a molecular weight of 304.39 g/mol. Its IUPAC name is 5-(difluoromethoxy)-N-piperidin-4-ylpyrimidin-2-amine;ethane.

Molecular Properties

Compound Name5-(difluoromethoxy)-N-piperidin-4-ylpyrimidin-2-amine;ethane
PubChem CID177057062
Molecular FormulaC14H26F2N4O
Molecular Weight304.39 g/mol
Exact Mass304.21
IUPAC Name5-(difluoromethoxy)-N-piperidin-4-ylpyrimidin-2-amine;ethane
SMILESCC.CC.FC(F)Oc1cnc(NC2CCNCC2)nc1
InChIInChI=1S/C10H14F2N4O.2C2H6/c11-9(12)17-8-5-14-10(15-6-8)16-7-1-3-13-4-2-7;2*1-2/h5-7,9,13H,1-4H2,(H,14,15,16);2*1-2H3
InChIKeyZCMJXEYFINBODI-UHFFFAOYSA-N
XLogP3.29
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(difluoromethoxy)-N-(1-propylsulfinylpiperidin-4-yl)pyrimidin-2-amine
CID 178017708
N-[4-(3-chloropropylsulfinyl)cyclohexyl]-5-(difluoromethoxy)pyrimidin-2-amine
CID 178017432
5-(piperidin-4-ylmethoxy)-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 123875025
5-methyl-2-N-piperidin-4-yl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 54274609
N-[1-(3-bromophenyl)sulfinylpiperidin-4-yl]-5-(difluoromethoxy)pyrimidin-2-amine
CID 177057195
4-[4-(difluoromethoxy)phenoxy]piperidine
CID 86685910
N-(azetidin-3-yl)-5-methoxypyrimidin-2-amine
CID 114600963
N-(5-methoxypyrimidin-2-yl)azepan-3-amine
CID 114600932
5-tert-butyl-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 116974701
5-bromo-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 63872650
N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 125498682
5-(difluoromethoxy)-2-propan-2-ylpyrimidine;ethane
CID 169118529

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-N-piperidin-4-ylpyrimidin-2-amine;ethane?
The IUPAC name of 5-(difluoromethoxy)-N-piperidin-4-ylpyrimidin-2-amine;ethane (CID 177057062) is 5-(difluoromethoxy)-N-piperidin-4-ylpyrimidin-2-amine;ethane.
What is the SMILES notation for 5-(difluoromethoxy)-N-piperidin-4-ylpyrimidin-2-amine;ethane?
The canonical SMILES for 5-(difluoromethoxy)-N-piperidin-4-ylpyrimidin-2-amine;ethane is CC.CC.FC(F)Oc1cnc(NC2CCNCC2)nc1.
What is the InChIKey of 5-(difluoromethoxy)-N-piperidin-4-ylpyrimidin-2-amine;ethane?
The InChIKey is ZCMJXEYFINBODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N4O.2C2H6/c11-9(12)17-8-5-14-10(15-6-8)16-7-1-3-13-4-2-7;2*1-2/h5-7,9,13H,1-4H2,(H,14,15,16);2*1-2H3.
What are the key properties of 5-(difluoromethoxy)-N-piperidin-4-ylpyrimidin-2-amine;ethane?
5-(difluoromethoxy)-N-piperidin-4-ylpyrimidin-2-amine;ethane has a molecular weight of 304.39 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-N-piperidin-4-ylpyrimidin-2-amine;ethane is sourced from PubChem (CID 177057062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).