5-fluoro-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine

C14H18FN5O — CID 129482294

IUPAC5-fluoro-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine
SMILESCn1ccnc1[C@H](Nc1ncc(F)cn1)C1CCOCC1
InChIInChI=1S/C14H18FN5O/c1-20-5-4-16-13(20)12(10-2-6-21-7-3-10)19-14-17-8-11(15)9-18-14/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,17,18,19)/t12-/m1/s1
InChIKeyALQWPQMYADYNAB-GFCCVEGCSA-N
MW291.33 g/mol
LogP1.93
Rot. Bonds4

About 5-fluoro-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine

5-fluoro-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine (PubChem CID 129482294) has the molecular formula C14H18FN5O and a molecular weight of 291.33 g/mol. Its IUPAC name is 5-fluoro-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine
PubChem CID129482294
Molecular FormulaC14H18FN5O
Molecular Weight291.33 g/mol
Exact Mass291.15
IUPAC Name5-fluoro-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine
SMILESCn1ccnc1[C@H](Nc1ncc(F)cn1)C1CCOCC1
InChIInChI=1S/C14H18FN5O/c1-20-5-4-16-13(20)12(10-2-6-21-7-3-10)19-14-17-8-11(15)9-18-14/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,17,18,19)/t12-/m1/s1
InChIKeyALQWPQMYADYNAB-GFCCVEGCSA-N
XLogP1.93
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.93
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-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-fluoropyrimidin-2-amine
CID 128979367

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine (CID 129482294) is 5-fluoro-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine is Cn1ccnc1[C@H](Nc1ncc(F)cn1)C1CCOCC1.
What is the InChIKey of 5-fluoro-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine?
The InChIKey is ALQWPQMYADYNAB-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18FN5O/c1-20-5-4-16-13(20)12(10-2-6-21-7-3-10)19-14-17-8-11(15)9-18-14/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,17,18,19)/t12-/m1/s1.
What are the key properties of 5-fluoro-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine?
5-fluoro-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine has a molecular weight of 291.33 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 129482294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).