2-(cyclobutylamino)-4-[[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino]-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1H-pyrimidin-6-one

C20H24N6O4S — CID 137035213

IUPAC2-(cyclobutylamino)-4-[[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino]-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(NC2CCC2)nc(NC2CC(CO)C(O)C2O)c1-c1nc2cnccc2s1
InChIInChI=1S/C20H24N6O4S/c27-8-9-6-11(16(29)15(9)28)23-17-14(19-24-12-7-21-5-4-13(12)31-19)18(30)26-20(25-17)22-10-2-1-3-10/h4-5,7,9-11,15-16,27-29H,1-3,6,8H2,(H3,22,23,25,26,30)
InChIKeyRENDWIGIQKYJRF-UHFFFAOYSA-N
MW444.52 g/mol
LogP0.92
Rot. Bonds6

About 2-(cyclobutylamino)-4-[[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino]-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1H-pyrimidin-6-one

2-(cyclobutylamino)-4-[[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino]-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1H-pyrimidin-6-one (PubChem CID 137035213) has the molecular formula C20H24N6O4S and a molecular weight of 444.52 g/mol. Its IUPAC name is 2-(cyclobutylamino)-4-[[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino]-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(cyclobutylamino)-4-[[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino]-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1H-pyrimidin-6-one
PubChem CID137035213
Molecular FormulaC20H24N6O4S
Molecular Weight444.52 g/mol
Exact Mass444.16
IUPAC Name2-(cyclobutylamino)-4-[[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino]-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(NC2CCC2)nc(NC2CC(CO)C(O)C2O)c1-c1nc2cnccc2s1
InChIInChI=1S/C20H24N6O4S/c27-8-9-6-11(16(29)15(9)28)23-17-14(19-24-12-7-21-5-4-13(12)31-19)18(30)26-20(25-17)22-10-2-1-3-10/h4-5,7,9-11,15-16,27-29H,1-3,6,8H2,(H3,22,23,25,26,30)
InChIKeyRENDWIGIQKYJRF-UHFFFAOYSA-N
XLogP0.92
TPSA156.28 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.52
LogP ≤ 50.92
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze 2-(cyclobutylamino)-4-[[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino]-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclobutylamino)-4-[[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino]-5-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one
CID 137155378
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
2-(cyclobutylamino)-4-[[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino]-5-quinolin-2-yl-1H-pyrimidin-6-one;hydrochloride
CID 136983847
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-(1,3-benzothiazol-2-yl)-2-(cyclobutylamino)-4-[[(1R,2S,3R,4S)-2,3-dihydroxy-4-(2-hydroxypropan-2-yl)cyclopentyl]amino]-1H-pyrimidin-6-one;hydrochloride
CID 136984073
5-(1,3-benzothiazol-2-yl)-4-[[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino]-2-[(2,6-dimethyl-4-pyridinyl)amino]-1H-pyrimidin-6-one;hydrochloride
CID 136984134
5-(1,3-benzothiazol-2-yl)-4-[[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino]-2-(4-pyridin-4-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136983966
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
(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentane-1,2-diol;hydrochloride
CID 70693120
(1R,2S,3R,5R)-3-[[2-[(3-cyclopropyl-2,2-dimethylpropyl)amino]-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 58570821
(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[6-methyl-2-(N-methylanilino)-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentane-1,2-diol
CID 58571096
3-[[5-ethyl-4-methyl-6-(1-phenylethylamino)-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-2-pyridinyl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 91559193

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylamino)-4-[[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino]-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 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) is 2-(cyclobutylamino)-4-[[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino]-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(cyclobutylamino)-4-[[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino]-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(cyclobutylamino)-4-[[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino]-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1H-pyrimidin-6-one is O=c1[nH]c(NC2CCC2)nc(NC2CC(CO)C(O)C2O)c1-c1nc2cnccc2s1.
What is the InChIKey of 2-(cyclobutylamino)-4-[[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino]-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1H-pyrimidin-6-one?
The InChIKey is RENDWIGIQKYJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O4S/c27-8-9-6-11(16(29)15(9)28)23-17-14(19-24-12-7-21-5-4-13(12)31-19)18(30)26-20(25-17)22-10-2-1-3-10/h4-5,7,9-11,15-16,27-29H,1-3,6,8H2,(H3,22,23,25,26,30).
What are the key properties of 2-(cyclobutylamino)-4-[[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino]-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1H-pyrimidin-6-one?
2-(cyclobutylamino)-4-[[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino]-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1H-pyrimidin-6-one has a molecular weight of 444.52 g/mol, XLogP of 0.92, 6 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylamino)-4-[[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino]-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137035213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).