4-[5-fluoro-2-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidin-4-yl]morpholine

C19H27FN6O — CID 97187351

IUPAC4-[5-fluoro-2-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidin-4-yl]morpholine
SMILESCC(C)n1ccnc1[C@@H]1CCCN(c2ncc(F)c(N3CCOCC3)n2)C1
InChIInChI=1S/C19H27FN6O/c1-14(2)26-7-5-21-17(26)15-4-3-6-25(13-15)19-22-12-16(20)18(23-19)24-8-10-27-11-9-24/h5,7,12,14-15H,3-4,6,8-11,13H2,1-2H3/t15-/m1/s1
InChIKeyNUPLURCVRBEUKL-OAHLLOKOSA-N
MW374.46 g/mol
LogP2.61
Rot. Bonds4

About 4-[5-fluoro-2-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidin-4-yl]morpholine

4-[5-fluoro-2-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidin-4-yl]morpholine (PubChem CID 97187351) has the molecular formula C19H27FN6O and a molecular weight of 374.46 g/mol. Its IUPAC name is 4-[5-fluoro-2-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[5-fluoro-2-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidin-4-yl]morpholine
PubChem CID97187351
Molecular FormulaC19H27FN6O
Molecular Weight374.46 g/mol
Exact Mass374.22
IUPAC Name4-[5-fluoro-2-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidin-4-yl]morpholine
SMILESCC(C)n1ccnc1[C@@H]1CCCN(c2ncc(F)c(N3CCOCC3)n2)C1
InChIInChI=1S/C19H27FN6O/c1-14(2)26-7-5-21-17(26)15-4-3-6-25(13-15)19-22-12-16(20)18(23-19)24-8-10-27-11-9-24/h5,7,12,14-15H,3-4,6,8-11,13H2,1-2H3/t15-/m1/s1
InChIKeyNUPLURCVRBEUKL-OAHLLOKOSA-N
XLogP2.61
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N2-[(1s)-1-(5-Fluoropyrimidin-2-Yl)ethyl]-N4-(1-Methylimidazol-4-Yl)-6-Morpholino-1,3,5-Triazine-2,4-Diamine
CID 67300255
11-(5-Fluoropyrimidin-2-yl)-2-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 118739193
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
4-N-(oxan-3-yl)-2-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidine-2,4-diamine
CID 128210340
4-(3,3-dimethylpiperidin-1-yl)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]pyrimidine
CID 164630368
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
Pyrimidine, 5-fluoro-4-(4-methylimidazol-1-yl)-2-(4-morpholyl)-
CID 621876
{4-[(4-{[(1S)-1-(5-Fluoropyrimidin-2-yl)ethyl]amino}-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-1H-imidazol-1-yl}acetonitrile
CID 44548071
N-[(1S)-1-(5-Fluoropyrimidin-2-yl)ethyl]-N'-(1-isopropyl-1H-imidazol-4-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 44548072
N-(1-Ethyl-1H-imidazol-4-yl)-N'-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 44548236

Frequently Asked Questions

What is the IUPAC name of 4-[5-fluoro-2-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[5-fluoro-2-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidin-4-yl]morpholine (CID 97187351) is 4-[5-fluoro-2-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[5-fluoro-2-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[5-fluoro-2-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidin-4-yl]morpholine is CC(C)n1ccnc1[C@@H]1CCCN(c2ncc(F)c(N3CCOCC3)n2)C1.
What is the InChIKey of 4-[5-fluoro-2-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidin-4-yl]morpholine?
The InChIKey is NUPLURCVRBEUKL-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H27FN6O/c1-14(2)26-7-5-21-17(26)15-4-3-6-25(13-15)19-22-12-16(20)18(23-19)24-8-10-27-11-9-24/h5,7,12,14-15H,3-4,6,8-11,13H2,1-2H3/t15-/m1/s1.
What are the key properties of 4-[5-fluoro-2-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidin-4-yl]morpholine?
4-[5-fluoro-2-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidin-4-yl]morpholine has a molecular weight of 374.46 g/mol, XLogP of 2.61, 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-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 97187351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).