N-[2-(2,4-difluorophenoxy)ethyl]-6-piperidin-1-ylpyrimidin-4-amine

C17H20F2N4O — CID 133291658

IUPACN-[2-(2,4-difluorophenoxy)ethyl]-6-piperidin-1-ylpyrimidin-4-amine
SMILESFc1ccc(OCCNc2cc(N3CCCCC3)ncn2)c(F)c1
InChIInChI=1S/C17H20F2N4O/c18-13-4-5-15(14(19)10-13)24-9-6-20-16-11-17(22-12-21-16)23-7-2-1-3-8-23/h4-5,10-12H,1-3,6-9H2,(H,20,21,22)
InChIKeyMRSCVZSWRYLBHG-UHFFFAOYSA-N
MW334.37 g/mol
LogP3.24
Rot. Bonds6

About N-[2-(2,4-difluorophenoxy)ethyl]-6-piperidin-1-ylpyrimidin-4-amine

N-[2-(2,4-difluorophenoxy)ethyl]-6-piperidin-1-ylpyrimidin-4-amine (PubChem CID 133291658) has the molecular formula C17H20F2N4O and a molecular weight of 334.37 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenoxy)ethyl]-6-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenoxy)ethyl]-6-piperidin-1-ylpyrimidin-4-amine
PubChem CID133291658
Molecular FormulaC17H20F2N4O
Molecular Weight334.37 g/mol
Exact Mass334.16
IUPAC NameN-[2-(2,4-difluorophenoxy)ethyl]-6-piperidin-1-ylpyrimidin-4-amine
SMILESFc1ccc(OCCNc2cc(N3CCCCC3)ncn2)c(F)c1
InChIInChI=1S/C17H20F2N4O/c18-13-4-5-15(14(19)10-13)24-9-6-20-16-11-17(22-12-21-16)23-7-2-1-3-8-23/h4-5,10-12H,1-3,6-9H2,(H,20,21,22)
InChIKeyMRSCVZSWRYLBHG-UHFFFAOYSA-N
XLogP3.24
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[6-(2,4-difluorophenoxy)pyrimidin-4-yl]azepane
CID 83289257
6-piperidin-1-yl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidin-4-amine
CID 133398689
N-(5-fluoro-2-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 122282467
4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]phenol
CID 154745147
[6-(azepan-1-yl)pyrimidin-4-yl]hydrazine
CID 80927859
N-[2-(4-fluorophenyl)ethyl]-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112861382
N-[2-(2,4-dichlorophenyl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 112856076
N-[(4-chlorophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 112856024
6-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 133297263
6-piperidin-1-yl-N-(2-pyrazol-1-ylethyl)pyrimidin-4-amine
CID 133280938
6-piperidin-1-yl-N-(2,3,4-trifluorophenyl)pyrimidin-4-amine
CID 112856176
1-(2-fluorophenyl)-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 122327732

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenoxy)ethyl]-6-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-[2-(2,4-difluorophenoxy)ethyl]-6-piperidin-1-ylpyrimidin-4-amine (CID 133291658) is N-[2-(2,4-difluorophenoxy)ethyl]-6-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(2,4-difluorophenoxy)ethyl]-6-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[2-(2,4-difluorophenoxy)ethyl]-6-piperidin-1-ylpyrimidin-4-amine is Fc1ccc(OCCNc2cc(N3CCCCC3)ncn2)c(F)c1.
What is the InChIKey of N-[2-(2,4-difluorophenoxy)ethyl]-6-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is MRSCVZSWRYLBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O/c18-13-4-5-15(14(19)10-13)24-9-6-20-16-11-17(22-12-21-16)23-7-2-1-3-8-23/h4-5,10-12H,1-3,6-9H2,(H,20,21,22).
What are the key properties of N-[2-(2,4-difluorophenoxy)ethyl]-6-piperidin-1-ylpyrimidin-4-amine?
N-[2-(2,4-difluorophenoxy)ethyl]-6-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 334.37 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenoxy)ethyl]-6-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 133291658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).