4-[[(6S)-8-(5-fluoropyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine

C16H21FN6O — CID 97462943

IUPAC4-[[(6S)-8-(5-fluoropyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine
SMILESFc1cnc(N2Cc3nccn3C[C@H](CN3CCOCC3)C2)nc1
InChIInChI=1S/C16H21FN6O/c17-14-7-19-16(20-8-14)23-11-13(9-21-3-5-24-6-4-21)10-22-2-1-18-15(22)12-23/h1-2,7-8,13H,3-6,9-12H2/t13-/m0/s1
InChIKeyPXBVOIBPHBDVOG-ZDUSSCGKSA-N
MW332.38 g/mol
LogP0.78
Rot. Bonds3

About 4-[[(6S)-8-(5-fluoropyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine

4-[[(6S)-8-(5-fluoropyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine (PubChem CID 97462943) has the molecular formula C16H21FN6O and a molecular weight of 332.38 g/mol. Its IUPAC name is 4-[[(6S)-8-(5-fluoropyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[(6S)-8-(5-fluoropyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine
PubChem CID97462943
Molecular FormulaC16H21FN6O
Molecular Weight332.38 g/mol
Exact Mass332.18
IUPAC Name4-[[(6S)-8-(5-fluoropyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine
SMILESFc1cnc(N2Cc3nccn3C[C@H](CN3CCOCC3)C2)nc1
InChIInChI=1S/C16H21FN6O/c17-14-7-19-16(20-8-14)23-11-13(9-21-3-5-24-6-4-21)10-22-2-1-18-15(22)12-23/h1-2,7-8,13H,3-6,9-12H2/t13-/m0/s1
InChIKeyPXBVOIBPHBDVOG-ZDUSSCGKSA-N
XLogP0.78
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 50.78
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
(2-{2-[2-(methoxymethyl)pyrimidin-5-yl]-1H-imidazol-1-yl}ethyl)dimethylamine
CID 56867185
3-[(1-Methylimidazol-2-yl)methyl]-11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane
CID 97399490
4-[[8-(5-Fluoropyrimidin-2-yl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-3-yl]methyl]morpholine
CID 97519780
1-[8-(5-fluoropyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine
CID 134069036
Pyrimidine, 5-fluoro-4-(4-methylimidazol-1-yl)-2-(4-morpholyl)-
CID 621876
4-(2-Imidazol-1-ylpyrimidin-4-yl)morpholine
CID 3071748
4-(4-Imidazol-1-ylpyrimidin-2-yl)morpholine
CID 3071754
5-fluoro-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-4-morpholin-4-ylpyrimidin-2-amine
CID 50981240
4-{5-fluoro-2-[3-(1-isopropyl-1H-imidazol-2-yl)-1-piperidinyl]-4-pyrimidinyl}morpholine
CID 72840504
4-(2-{4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}-5-fluoropyrimidin-4-yl)morpholine
CID 72872452
5-fluoro-2-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}-N,N-dimethylpyrimidin-4-amine
CID 72897039

Frequently Asked Questions

What is the IUPAC name of 4-[[(6S)-8-(5-fluoropyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine?
The IUPAC name of 4-[[(6S)-8-(5-fluoropyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine (CID 97462943) is 4-[[(6S)-8-(5-fluoropyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine.
What is the SMILES notation for 4-[[(6S)-8-(5-fluoropyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine?
The canonical SMILES for 4-[[(6S)-8-(5-fluoropyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine is Fc1cnc(N2Cc3nccn3C[C@H](CN3CCOCC3)C2)nc1.
What is the InChIKey of 4-[[(6S)-8-(5-fluoropyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine?
The InChIKey is PXBVOIBPHBDVOG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21FN6O/c17-14-7-19-16(20-8-14)23-11-13(9-21-3-5-24-6-4-21)10-22-2-1-18-15(22)12-23/h1-2,7-8,13H,3-6,9-12H2/t13-/m0/s1.
What are the key properties of 4-[[(6S)-8-(5-fluoropyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine?
4-[[(6S)-8-(5-fluoropyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine has a molecular weight of 332.38 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6S)-8-(5-fluoropyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine is sourced from PubChem (CID 97462943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).