N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-6-ethoxypyrimidin-4-amine

C18H22F2N4O — CID 133490649

IUPACN-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-6-ethoxypyrimidin-4-amine
SMILESCCOc1cc(NC2CCN(Cc3ccc(F)c(F)c3)CC2)ncn1
InChIInChI=1S/C18H22F2N4O/c1-2-25-18-10-17(21-12-22-18)23-14-5-7-24(8-6-14)11-13-3-4-15(19)16(20)9-13/h3-4,9-10,12,14H,2,5-8,11H2,1H3,(H,21,22,23)
InChIKeyZJGKNEQVNVYFNN-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.23
Rot. Bonds6

About N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-6-ethoxypyrimidin-4-amine

N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-6-ethoxypyrimidin-4-amine (PubChem CID 133490649) has the molecular formula C18H22F2N4O and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-6-ethoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-6-ethoxypyrimidin-4-amine
PubChem CID133490649
Molecular FormulaC18H22F2N4O
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC NameN-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-6-ethoxypyrimidin-4-amine
SMILESCCOc1cc(NC2CCN(Cc3ccc(F)c(F)c3)CC2)ncn1
InChIInChI=1S/C18H22F2N4O/c1-2-25-18-10-17(21-12-22-18)23-14-5-7-24(8-6-14)11-13-3-4-15(19)16(20)9-13/h3-4,9-10,12,14H,2,5-8,11H2,1H3,(H,21,22,23)
InChIKeyZJGKNEQVNVYFNN-UHFFFAOYSA-N
XLogP3.23
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethoxy-N-(1-propylpiperidin-4-yl)pyrimidin-4-amine
CID 66330964
N-[1-(cyclopentylmethyl)piperidin-4-yl]-6-ethoxypyrimidin-4-amine
CID 133490645
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-1,3,4-oxadiazol-2-amine
CID 154868110
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-7-(2,4,6-trimethylphenoxy)-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine
CID 118732263
6-ethoxy-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrimidin-4-amine
CID 133490993
N-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]-6-methoxypyrimidin-4-amine
CID 171998529
4-[(6-ethoxypyrimidin-4-yl)amino]-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]piperidine-1-carboxamide
CID 139005476
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]ethanamine
CID 55216872
4-N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 172901558
N-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxypyrimidin-4-amine
CID 171995465
6-chloro-4-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidine-2,4-diamine
CID 55829581
N-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 82919208

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-6-ethoxypyrimidin-4-amine?
The IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-6-ethoxypyrimidin-4-amine (CID 133490649) is N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-6-ethoxypyrimidin-4-amine.
What is the SMILES notation for N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-6-ethoxypyrimidin-4-amine?
The canonical SMILES for N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-6-ethoxypyrimidin-4-amine is CCOc1cc(NC2CCN(Cc3ccc(F)c(F)c3)CC2)ncn1.
What is the InChIKey of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-6-ethoxypyrimidin-4-amine?
The InChIKey is ZJGKNEQVNVYFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4O/c1-2-25-18-10-17(21-12-22-18)23-14-5-7-24(8-6-14)11-13-3-4-15(19)16(20)9-13/h3-4,9-10,12,14H,2,5-8,11H2,1H3,(H,21,22,23).
What are the key properties of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-6-ethoxypyrimidin-4-amine?
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-6-ethoxypyrimidin-4-amine has a molecular weight of 348.40 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-6-ethoxypyrimidin-4-amine is sourced from PubChem (CID 133490649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).