N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-fluoropyrimidin-2-amine

C15H20FN5O — CID 128979367

IUPACN-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-fluoropyrimidin-2-amine
SMILESCCn1ccnc1C(Nc1ncc(F)cn1)C1CCOCC1
InChIInChI=1S/C15H20FN5O/c1-2-21-6-5-17-14(21)13(11-3-7-22-8-4-11)20-15-18-9-12(16)10-19-15/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,18,19,20)
InChIKeyIQBSQSONFJZGHD-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.41
Rot. Bonds5

About N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-fluoropyrimidin-2-amine

N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-fluoropyrimidin-2-amine (PubChem CID 128979367) has the molecular formula C15H20FN5O and a molecular weight of 305.36 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-fluoropyrimidin-2-amine
PubChem CID128979367
Molecular FormulaC15H20FN5O
Molecular Weight305.36 g/mol
Exact Mass305.17
IUPAC NameN-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-fluoropyrimidin-2-amine
SMILESCCn1ccnc1C(Nc1ncc(F)cn1)C1CCOCC1
InChIInChI=1S/C15H20FN5O/c1-2-21-6-5-17-14(21)13(11-3-7-22-8-4-11)20-15-18-9-12(16)10-19-15/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,18,19,20)
InChIKeyIQBSQSONFJZGHD-UHFFFAOYSA-N
XLogP2.41
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[ethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99946648
N-[(E)-2-[4-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyrimidin-2-yl]ethenyl]-6-(trifluoromethyl)-1,2-dihydropyrazin-3-amine
CID 163702133
2-(4-{1-[3-(dimethylamino)propyl]-1H-imidazol-2-yl}-1-piperidinyl)-5-fluoro-N-methyl-4-pyrimidinamine
CID 72906502
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-fluoropyrimidin-2-amine
CID 128967819
5-fluoro-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine
CID 128971463
5-fluoro-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidin-2-amine
CID 128975000
4-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 128979322
N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 128979342
6-ethyl-5-fluoro-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-4-amine
CID 128979350
N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 128979362
6-ethyl-N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-fluoropyrimidin-4-amine
CID 128979366
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-5-fluoropyrimidin-2-amine
CID 129006914

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-fluoropyrimidin-2-amine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-fluoropyrimidin-2-amine (CID 128979367) is N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-fluoropyrimidin-2-amine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-fluoropyrimidin-2-amine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-fluoropyrimidin-2-amine is CCn1ccnc1C(Nc1ncc(F)cn1)C1CCOCC1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-fluoropyrimidin-2-amine?
The InChIKey is IQBSQSONFJZGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5O/c1-2-21-6-5-17-14(21)13(11-3-7-22-8-4-11)20-15-18-9-12(16)10-19-15/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,18,19,20).
What are the key properties of N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-fluoropyrimidin-2-amine?
N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-fluoropyrimidin-2-amine has a molecular weight of 305.36 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 128979367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).