2-morpholin-4-yl-4-(piperidin-3-ylamino)-5-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrimidin-6-one

C23H25F3N6O3S — CID 136983917

IUPAC2-morpholin-4-yl-4-(piperidin-3-ylamino)-5-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrimidin-6-one
SMILESO=c1[nH]c(N2CCOCC2)nc(NC2CCCNC2)c1-c1nc(-c2ccc(OC(F)(F)F)cc2)cs1
InChIInChI=1S/C23H25F3N6O3S/c24-23(25,26)35-16-5-3-14(4-6-16)17-13-36-21(29-17)18-19(28-15-2-1-7-27-12-15)30-22(31-20(18)33)32-8-10-34-11-9-32/h3-6,13,15,27H,1-2,7-12H2,(H2,28,30,31,33)
InChIKeyPZKUEQIUJGJFQD-UHFFFAOYSA-N
MW522.55 g/mol
LogP3.46
Rot. Bonds6

About 2-morpholin-4-yl-4-(piperidin-3-ylamino)-5-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrimidin-6-one

2-morpholin-4-yl-4-(piperidin-3-ylamino)-5-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrimidin-6-one (PubChem CID 136983917) has the molecular formula C23H25F3N6O3S and a molecular weight of 522.55 g/mol. Its IUPAC name is 2-morpholin-4-yl-4-(piperidin-3-ylamino)-5-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-morpholin-4-yl-4-(piperidin-3-ylamino)-5-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrimidin-6-one
PubChem CID136983917
Molecular FormulaC23H25F3N6O3S
Molecular Weight522.55 g/mol
Exact Mass522.17
IUPAC Name2-morpholin-4-yl-4-(piperidin-3-ylamino)-5-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrimidin-6-one
SMILESO=c1[nH]c(N2CCOCC2)nc(NC2CCCNC2)c1-c1nc(-c2ccc(OC(F)(F)F)cc2)cs1
InChIInChI=1S/C23H25F3N6O3S/c24-23(25,26)35-16-5-3-14(4-6-16)17-13-36-21(29-17)18-19(28-15-2-1-7-27-12-15)30-22(31-20(18)33)32-8-10-34-11-9-32/h3-6,13,15,27H,1-2,7-12H2,(H2,28,30,31,33)
InChIKeyPZKUEQIUJGJFQD-UHFFFAOYSA-N
XLogP3.46
TPSA104.40 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.55
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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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-(6-fluoro-1,3-benzothiazol-2-yl)-2-morpholin-4-yl-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrimidin-6-one;hydrochloride
CID 136984104
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
4-[[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino]-5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 136983809
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-piperidin-1-yl-4-(piperidin-3-ylamino)-5-quinolin-2-yl-1H-pyrimidin-6-one
CID 136508716
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-(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
2-(3-phosphanylpyrrolidin-1-yl)-4-(piperidin-3-ylamino)-5-quinolin-2-yl-1H-pyrimidin-6-one
CID 137296206
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

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-4-(piperidin-3-ylamino)-5-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-morpholin-4-yl-4-(piperidin-3-ylamino)-5-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrimidin-6-one (CID 136983917) is 2-morpholin-4-yl-4-(piperidin-3-ylamino)-5-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-morpholin-4-yl-4-(piperidin-3-ylamino)-5-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-morpholin-4-yl-4-(piperidin-3-ylamino)-5-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrimidin-6-one is O=c1[nH]c(N2CCOCC2)nc(NC2CCCNC2)c1-c1nc(-c2ccc(OC(F)(F)F)cc2)cs1.
What is the InChIKey of 2-morpholin-4-yl-4-(piperidin-3-ylamino)-5-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrimidin-6-one?
The InChIKey is PZKUEQIUJGJFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N6O3S/c24-23(25,26)35-16-5-3-14(4-6-16)17-13-36-21(29-17)18-19(28-15-2-1-7-27-12-15)30-22(31-20(18)33)32-8-10-34-11-9-32/h3-6,13,15,27H,1-2,7-12H2,(H2,28,30,31,33).
What are the key properties of 2-morpholin-4-yl-4-(piperidin-3-ylamino)-5-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrimidin-6-one?
2-morpholin-4-yl-4-(piperidin-3-ylamino)-5-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrimidin-6-one has a molecular weight of 522.55 g/mol, XLogP of 3.46, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-4-(piperidin-3-ylamino)-5-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136983917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).