N-(3,5-dimethoxyphenyl)-1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-amine

C19H25FN4O2 — CID 133420175

IUPACN-(3,5-dimethoxyphenyl)-1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-amine
SMILESCCc1ncnc(N2CCCC(Nc3cc(OC)cc(OC)c3)C2)c1F
InChIInChI=1S/C19H25FN4O2/c1-4-17-18(20)19(22-12-21-17)24-7-5-6-13(11-24)23-14-8-15(25-2)10-16(9-14)26-3/h8-10,12-13,23H,4-7,11H2,1-3H3
InChIKeyYFVDIVKEJYAHCD-UHFFFAOYSA-N
MW360.43 g/mol
LogP3.28
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-amine

N-(3,5-dimethoxyphenyl)-1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-amine (PubChem CID 133420175) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-amine
PubChem CID133420175
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC NameN-(3,5-dimethoxyphenyl)-1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-amine
SMILESCCc1ncnc(N2CCCC(Nc3cc(OC)cc(OC)c3)C2)c1F
InChIInChI=1S/C19H25FN4O2/c1-4-17-18(20)19(22-12-21-17)24-7-5-6-13(11-24)23-14-8-15(25-2)10-16(9-14)26-3/h8-10,12-13,23H,4-7,11H2,1-3H3
InChIKeyYFVDIVKEJYAHCD-UHFFFAOYSA-N
XLogP3.28
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidine-3-carboxylate
CID 103880059
N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357600
N-(3,5-dimethoxyphenyl)-1-[6-methyl-4-(trifluoromethyl)pyridazin-3-yl]piperidin-3-amine
CID 166218977
4-ethyl-5-fluoro-6-[3-(2-methylpropyl)piperidin-1-yl]pyrimidine
CID 133420014
5-chloro-6-[3-(3,5-dimethoxyanilino)piperidin-1-yl]pyridine-3-carboxamide
CID 133362411
N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 133419706
N-(3,5-dimethoxyphenyl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-amine
CID 133362371
1-(6-ethyl-5-fluoropyrimidin-4-yl)-N-(oxetan-3-yl)azetidin-3-amine
CID 136571599
2-[3-(3,5-dimethoxyanilino)piperidin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133362299
N-(3,5-dimethoxyphenyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-3-amine
CID 133362377
N-(3,5-dimethoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
CID 133362403
N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylcyclobutanecarboxamide
CID 166605983

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-amine (CID 133420175) is N-(3,5-dimethoxyphenyl)-1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-amine is CCc1ncnc(N2CCCC(Nc3cc(OC)cc(OC)c3)C2)c1F.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-amine?
The InChIKey is YFVDIVKEJYAHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-4-17-18(20)19(22-12-21-17)24-7-5-6-13(11-24)23-14-8-15(25-2)10-16(9-14)26-3/h8-10,12-13,23H,4-7,11H2,1-3H3.
What are the key properties of N-(3,5-dimethoxyphenyl)-1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-amine?
N-(3,5-dimethoxyphenyl)-1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-amine has a molecular weight of 360.43 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-amine is sourced from PubChem (CID 133420175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).