N-[1-(4-benzylmorpholin-2-yl)propyl]-6-ethyl-5-fluoropyrimidin-4-amine

C20H27FN4O — CID 133420372

IUPACN-[1-(4-benzylmorpholin-2-yl)propyl]-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NC(CC)C2CN(Cc3ccccc3)CCO2)c1F
InChIInChI=1S/C20H27FN4O/c1-3-16(24-20-19(21)17(4-2)22-14-23-20)18-13-25(10-11-26-18)12-15-8-6-5-7-9-15/h5-9,14,16,18H,3-4,10-13H2,1-2H3,(H,22,23,24)
InChIKeyLRYHFRHLSYYBDT-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.27
Rot. Bonds7

About N-[1-(4-benzylmorpholin-2-yl)propyl]-6-ethyl-5-fluoropyrimidin-4-amine

N-[1-(4-benzylmorpholin-2-yl)propyl]-6-ethyl-5-fluoropyrimidin-4-amine (PubChem CID 133420372) has the molecular formula C20H27FN4O and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[1-(4-benzylmorpholin-2-yl)propyl]-6-ethyl-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(4-benzylmorpholin-2-yl)propyl]-6-ethyl-5-fluoropyrimidin-4-amine
PubChem CID133420372
Molecular FormulaC20H27FN4O
Molecular Weight358.46 g/mol
Exact Mass358.22
IUPAC NameN-[1-(4-benzylmorpholin-2-yl)propyl]-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NC(CC)C2CN(Cc3ccccc3)CCO2)c1F
InChIInChI=1S/C20H27FN4O/c1-3-16(24-20-19(21)17(4-2)22-14-23-20)18-13-25(10-11-26-18)12-15-8-6-5-7-9-15/h5-9,14,16,18H,3-4,10-13H2,1-2H3,(H,22,23,24)
InChIKeyLRYHFRHLSYYBDT-UHFFFAOYSA-N
XLogP3.27
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[1-(4-benzylmorpholin-2-yl)propylamino]pyridine-3-carbonitrile
CID 133364280
6-[1-(4-benzylmorpholin-2-yl)propylamino]-5-chloropyridine-3-carboxamide
CID 133364240
(2S)-2-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]butanamide
CID 119900648
N-[1-(4-benzylmorpholin-2-yl)propyl]-2-methyl-3-(methylamino)propanamide
CID 119900646
(2S)-2-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]butanamide;dihydrochloride
CID 119900647
N-[(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]-7H-purin-6-amine
CID 99810697
N-[1-(4-benzylmorpholin-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine
CID 133364242
4-benzyl-6-(6-ethyl-5-fluoropyrimidin-4-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 133420207
(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethanamine
CID 95396414
2-N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]propyl]pyridine-2,5-dicarboxamide
CID 96542255
N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]thiadiazole-4-carboxamide
CID 97095923
[(2R)-4-benzylmorpholin-2-yl]-(2-fluorophenyl)methanol
CID 69432470

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-benzylmorpholin-2-yl)propyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The IUPAC name of N-[1-(4-benzylmorpholin-2-yl)propyl]-6-ethyl-5-fluoropyrimidin-4-amine (CID 133420372) is N-[1-(4-benzylmorpholin-2-yl)propyl]-6-ethyl-5-fluoropyrimidin-4-amine.
What is the SMILES notation for N-[1-(4-benzylmorpholin-2-yl)propyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The canonical SMILES for N-[1-(4-benzylmorpholin-2-yl)propyl]-6-ethyl-5-fluoropyrimidin-4-amine is CCc1ncnc(NC(CC)C2CN(Cc3ccccc3)CCO2)c1F.
What is the InChIKey of N-[1-(4-benzylmorpholin-2-yl)propyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The InChIKey is LRYHFRHLSYYBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O/c1-3-16(24-20-19(21)17(4-2)22-14-23-20)18-13-25(10-11-26-18)12-15-8-6-5-7-9-15/h5-9,14,16,18H,3-4,10-13H2,1-2H3,(H,22,23,24).
What are the key properties of N-[1-(4-benzylmorpholin-2-yl)propyl]-6-ethyl-5-fluoropyrimidin-4-amine?
N-[1-(4-benzylmorpholin-2-yl)propyl]-6-ethyl-5-fluoropyrimidin-4-amine has a molecular weight of 358.46 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-benzylmorpholin-2-yl)propyl]-6-ethyl-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 133420372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).