4-[5-fluoro-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]morpholine

C17H23FN6O — CID 97456431

IUPAC4-[5-fluoro-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]morpholine
SMILESFc1cnc(N2CCC[C@@H](Cn3ccnc3)C2)nc1N1CCOCC1
InChIInChI=1S/C17H23FN6O/c18-15-10-20-17(21-16(15)23-6-8-25-9-7-23)24-4-1-2-14(12-24)11-22-5-3-19-13-22/h3,5,10,13-14H,1-2,4,6-9,11-12H2/t14-/m0/s1
InChIKeyALKOVGQQRTZKHL-AWEZNQCLSA-N
MW346.41 g/mol
LogP1.57
Rot. Bonds4

About 4-[5-fluoro-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]morpholine

4-[5-fluoro-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]morpholine (PubChem CID 97456431) has the molecular formula C17H23FN6O and a molecular weight of 346.41 g/mol. Its IUPAC name is 4-[5-fluoro-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[5-fluoro-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]morpholine
PubChem CID97456431
Molecular FormulaC17H23FN6O
Molecular Weight346.41 g/mol
Exact Mass346.19
IUPAC Name4-[5-fluoro-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]morpholine
SMILESFc1cnc(N2CCC[C@@H](Cn3ccnc3)C2)nc1N1CCOCC1
InChIInChI=1S/C17H23FN6O/c18-15-10-20-17(21-16(15)23-6-8-25-9-7-23)24-4-1-2-14(12-24)11-22-5-3-19-13-22/h3,5,10,13-14H,1-2,4,6-9,11-12H2/t14-/m0/s1
InChIKeyALKOVGQQRTZKHL-AWEZNQCLSA-N
XLogP1.57
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Morpholine, 4-(2-(1H-imidazol-1-yl)-4-pyrimidinyl)-, monohydrochloride
CID 3071747
11-(5-Fluoropyrimidin-2-yl)-2-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 118739193
8-Pyrazin-2-yl-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118745855
2-(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)-8-methyl-2,8-diazaspiro[4.5]decane
CID 50979248
2-[(3S)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine
CID 95873888
6-imidazol-1-yl-N-[(2S)-4-methyl-2-morpholin-4-ylpentyl]pyrimidin-4-amine
CID 95981418
2-methoxy-5-[[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine
CID 164632310
(3R,4S)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N,N-dimethyl-4-propan-2-ylpyrrolidin-3-amine
CID 164640940
4-(2-Imidazol-1-ylpyrimidin-4-yl)morpholine
CID 3071748
4-(4-Imidazol-1-ylpyrimidin-2-yl)morpholine
CID 3071754
4-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-4-N-(1-propan-2-ylimidazol-4-yl)-1,3,5-triazine-2,4-diamine
CID 154163449
4-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-[1-(methoxymethyl)imidazol-4-yl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 154210786

Frequently Asked Questions

What is the IUPAC name of 4-[5-fluoro-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[5-fluoro-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]morpholine (CID 97456431) is 4-[5-fluoro-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[5-fluoro-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[5-fluoro-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]morpholine is Fc1cnc(N2CCC[C@@H](Cn3ccnc3)C2)nc1N1CCOCC1.
What is the InChIKey of 4-[5-fluoro-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]morpholine?
The InChIKey is ALKOVGQQRTZKHL-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23FN6O/c18-15-10-20-17(21-16(15)23-6-8-25-9-7-23)24-4-1-2-14(12-24)11-22-5-3-19-13-22/h3,5,10,13-14H,1-2,4,6-9,11-12H2/t14-/m0/s1.
What are the key properties of 4-[5-fluoro-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]morpholine?
4-[5-fluoro-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]morpholine has a molecular weight of 346.41 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-fluoro-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 97456431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).