5-(6-fluoro-1,3-benzothiazol-2-yl)-2-morpholin-4-yl-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrimidin-6-one;hydrochloride

C20H24ClFN6O2S — CID 136984104

IUPAC5-(6-fluoro-1,3-benzothiazol-2-yl)-2-morpholin-4-yl-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrimidin-6-one;hydrochloride
SMILESCl.O=c1[nH]c(N2CCOCC2)nc(N[C@@H]2CCCNC2)c1-c1nc2ccc(F)cc2s1
InChIInChI=1S/C20H23FN6O2S.ClH/c21-12-3-4-14-15(10-12)30-19(24-14)16-17(23-13-2-1-5-22-11-13)25-20(26-18(16)28)27-6-8-29-9-7-27;/h3-4,10,13,22H,1-2,5-9,11H2,(H2,23,25,26,28);1H/t13-;/m1./s1
InChIKeyQKSDSMKAJCLXHO-BTQNPOSSSA-N
MW466.97 g/mol
LogP2.61
Rot. Bonds4

About 5-(6-fluoro-1,3-benzothiazol-2-yl)-2-morpholin-4-yl-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrimidin-6-one;hydrochloride

5-(6-fluoro-1,3-benzothiazol-2-yl)-2-morpholin-4-yl-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrimidin-6-one;hydrochloride (PubChem CID 136984104) has the molecular formula C20H24ClFN6O2S and a molecular weight of 466.97 g/mol. Its IUPAC name is 5-(6-fluoro-1,3-benzothiazol-2-yl)-2-morpholin-4-yl-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name5-(6-fluoro-1,3-benzothiazol-2-yl)-2-morpholin-4-yl-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrimidin-6-one;hydrochloride
PubChem CID136984104
Molecular FormulaC20H24ClFN6O2S
Molecular Weight466.97 g/mol
Exact Mass466.14
IUPAC Name5-(6-fluoro-1,3-benzothiazol-2-yl)-2-morpholin-4-yl-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrimidin-6-one;hydrochloride
SMILESCl.O=c1[nH]c(N2CCOCC2)nc(N[C@@H]2CCCNC2)c1-c1nc2ccc(F)cc2s1
InChIInChI=1S/C20H23FN6O2S.ClH/c21-12-3-4-14-15(10-12)30-19(24-14)16-17(23-13-2-1-5-22-11-13)25-20(26-18(16)28)27-6-8-29-9-7-27;/h3-4,10,13,22H,1-2,5-9,11H2,(H2,23,25,26,28);1H/t13-;/m1./s1
InChIKeyQKSDSMKAJCLXHO-BTQNPOSSSA-N
XLogP2.61
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.97
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-(6-fluoro-1,3-benzothiazol-2-yl)-2-morpholin-4-yl-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrimidin-6-one;hydrochloride with MolForge

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Related Compounds

4-(azepan-3-ylamino)-5-(1,3-benzothiazol-2-yl)-2-morpholin-4-yl-1H-pyrimidin-6-one;hydrochloride
CID 136983946
5-(1,3-benzothiazol-2-yl)-2-morpholin-4-yl-4-(pyrrolidin-3-ylamino)-1H-pyrimidin-6-one;hydrochloride
CID 136983940
5-(1,3-benzothiazol-2-yl)-2-piperidin-1-yl-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrimidin-6-one
CID 136504513
5-(7-cyclopropyl-1,3-benzothiazol-2-yl)-2-morpholin-4-yl-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrimidin-6-one;2,2,2-trifluoroacetic acid
CID 136984051
5-(1,3-benzothiazol-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(piperidin-3-ylamino)-1H-pyrimidin-6-one
CID 136504511
5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-[[(3R)-piperidin-3-yl]amino]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one;hydrochloride
CID 136984091
5-(1,3-benzothiazol-2-yl)-4-(piperidin-3-ylamino)-2-[4-(1,3,4-thiadiazol-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136983943
2-morpholin-4-yl-4-(piperidin-3-ylamino)-5-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrimidin-6-one
CID 136983917
5-(1,3-benzothiazol-2-yl)-2-[2-(4-chlorophenyl)-2-methylmorpholin-4-yl]-4-(piperidin-3-ylamino)-1H-pyrimidin-6-one;hydrochloride
CID 136984136
2-(2-acetyl-2,7-diazaspiro[4.4]nonan-7-yl)-5-(1,3-benzothiazol-2-yl)-4-(piperidin-3-ylamino)-1H-pyrimidin-6-one
CID 137031509
5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-(4-methylpiperazin-1-yl)-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrimidin-6-one
CID 136983878
5-(1,3-benzothiazol-2-yl)-4-[methyl-[(3R)-piperidin-3-yl]amino]-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 136508788

Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoro-1,3-benzothiazol-2-yl)-2-morpholin-4-yl-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrimidin-6-one;hydrochloride?
The IUPAC name of 5-(6-fluoro-1,3-benzothiazol-2-yl)-2-morpholin-4-yl-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrimidin-6-one;hydrochloride (CID 136984104) is 5-(6-fluoro-1,3-benzothiazol-2-yl)-2-morpholin-4-yl-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 5-(6-fluoro-1,3-benzothiazol-2-yl)-2-morpholin-4-yl-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrimidin-6-one;hydrochloride?
The canonical SMILES for 5-(6-fluoro-1,3-benzothiazol-2-yl)-2-morpholin-4-yl-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrimidin-6-one;hydrochloride is Cl.O=c1[nH]c(N2CCOCC2)nc(N[C@@H]2CCCNC2)c1-c1nc2ccc(F)cc2s1.
What is the InChIKey of 5-(6-fluoro-1,3-benzothiazol-2-yl)-2-morpholin-4-yl-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrimidin-6-one;hydrochloride?
The InChIKey is QKSDSMKAJCLXHO-BTQNPOSSSA-N. The full InChI is InChI=1S/C20H23FN6O2S.ClH/c21-12-3-4-14-15(10-12)30-19(24-14)16-17(23-13-2-1-5-22-11-13)25-20(26-18(16)28)27-6-8-29-9-7-27;/h3-4,10,13,22H,1-2,5-9,11H2,(H2,23,25,26,28);1H/t13-;/m1./s1.
What are the key properties of 5-(6-fluoro-1,3-benzothiazol-2-yl)-2-morpholin-4-yl-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrimidin-6-one;hydrochloride?
5-(6-fluoro-1,3-benzothiazol-2-yl)-2-morpholin-4-yl-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrimidin-6-one;hydrochloride has a molecular weight of 466.97 g/mol, XLogP of 2.61, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-1,3-benzothiazol-2-yl)-2-morpholin-4-yl-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrimidin-6-one;hydrochloride is sourced from PubChem (CID 136984104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).