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

C23H26FN5O5S — CID 136983809

IUPAC4-[[(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
SMILESO=c1[nH]c(N2CCOCC2)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C23H26FN5O5S/c24-14-3-1-12(2-4-14)16-11-35-22(26-16)17-20(25-15-9-13(10-30)18(31)19(15)32)27-23(28-21(17)33)29-5-7-34-8-6-29/h1-4,11,13,15,18-19,30-32H,5-10H2,(H2,25,27,28,33)/t13-,15-,18-,19+/m1/s1
InChIKeyIUPSBXPZJLTHHL-LRHNDGHRSA-N
MW503.56 g/mol
LogP1.05
Rot. Bonds6

About 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

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 (PubChem CID 136983809) has the molecular formula C23H26FN5O5S and a molecular weight of 503.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[[(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
PubChem CID136983809
Molecular FormulaC23H26FN5O5S
Molecular Weight503.56 g/mol
Exact Mass503.16
IUPAC Name4-[[(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
SMILESO=c1[nH]c(N2CCOCC2)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C23H26FN5O5S/c24-14-3-1-12(2-4-14)16-11-35-22(26-16)17-20(25-15-9-13(10-30)18(31)19(15)32)27-23(28-21(17)33)29-5-7-34-8-6-29/h1-4,11,13,15,18-19,30-32H,5-10H2,(H2,25,27,28,33)/t13-,15-,18-,19+/m1/s1
InChIKeyIUPSBXPZJLTHHL-LRHNDGHRSA-N
XLogP1.05
TPSA143.83 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.56
LogP ≤ 51.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

4-[[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino]-5-(6-methyl-2-pyridinyl)-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 137130003
8-[5-(1,3-benzothiazol-2-yl)-4-[[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino]-6-oxo-1H-pyrimidin-2-yl]-3-oxa-1,8-diazaspiro[4.5]decan-2-one
CID 136984053
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)-4-[[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino]-2-(4-pyridin-3-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136983936
2-anilino-5-(1,3-benzothiazol-2-yl)-4-[[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
CID 136983985
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
2-(cyclobutylamino)-4-[[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino]-5-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one
CID 137155378
2-[[5-(1,3-benzothiazol-2-yl)-2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl]amino]acetamide
CID 136983811
2-(cyclobutylamino)-4-[[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino]-5-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one;hydrochloride
CID 136984117
(1R,2S,3R,5R)-3-[[5-(1,3-benzothiazol-2-yl)-6-chloro-2-(oxan-4-ylamino)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 58570907
5-(1,3-benzothiazol-2-yl)-2-morpholin-4-yl-4-(pyrrolidin-3-ylamino)-1H-pyrimidin-6-one;hydrochloride
CID 136983940
2-(cyclobutylamino)-4-[[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino]-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1H-pyrimidin-6-one
CID 137035213

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=c1[nH]c(N2CCOCC2)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 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?
The InChIKey is IUPSBXPZJLTHHL-LRHNDGHRSA-N. The full InChI is InChI=1S/C23H26FN5O5S/c24-14-3-1-12(2-4-14)16-11-35-22(26-16)17-20(25-15-9-13(10-30)18(31)19(15)32)27-23(28-21(17)33)29-5-7-34-8-6-29/h1-4,11,13,15,18-19,30-32H,5-10H2,(H2,25,27,28,33)/t13-,15-,18-,19+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 503.56 g/mol, XLogP of 1.05, 6 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 136983809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).