(1R,2S,3R)-3-[[2-amino-5-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]amino]-5-(2-hydroxypropan-2-yl)cyclopentane-1,2-diol

C16H23N5O3S — CID 126703153

IUPAC(1R,2S,3R)-3-[[2-amino-5-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]amino]-5-(2-hydroxypropan-2-yl)cyclopentane-1,2-diol
SMILESCc1csc(-c2cnc(N)nc2N[C@@H]2CC(C(C)(C)O)[C@@H](O)[C@H]2O)n1
InChIInChI=1S/C16H23N5O3S/c1-7-6-25-14(19-7)8-5-18-15(17)21-13(8)20-10-4-9(16(2,3)24)11(22)12(10)23/h5-6,9-12,22-24H,4H2,1-3H3,(H3,17,18,20,21)/t9?,10-,11-,12+/m1/s1
InChIKeyONFKFSDNQWDGEI-RDFFEMEHSA-N
MW365.46 g/mol
LogP0.78
Rot. Bonds4

About (1R,2S,3R)-3-[[2-amino-5-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]amino]-5-(2-hydroxypropan-2-yl)cyclopentane-1,2-diol

(1R,2S,3R)-3-[[2-amino-5-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]amino]-5-(2-hydroxypropan-2-yl)cyclopentane-1,2-diol (PubChem CID 126703153) has the molecular formula C16H23N5O3S and a molecular weight of 365.46 g/mol. Its IUPAC name is (1R,2S,3R)-3-[[2-amino-5-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]amino]-5-(2-hydroxypropan-2-yl)cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R)-3-[[2-amino-5-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]amino]-5-(2-hydroxypropan-2-yl)cyclopentane-1,2-diol
PubChem CID126703153
Molecular FormulaC16H23N5O3S
Molecular Weight365.46 g/mol
Exact Mass365.15
IUPAC Name(1R,2S,3R)-3-[[2-amino-5-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]amino]-5-(2-hydroxypropan-2-yl)cyclopentane-1,2-diol
SMILESCc1csc(-c2cnc(N)nc2N[C@@H]2CC(C(C)(C)O)[C@@H](O)[C@H]2O)n1
InChIInChI=1S/C16H23N5O3S/c1-7-6-25-14(19-7)8-5-18-15(17)21-13(8)20-10-4-9(16(2,3)24)11(22)12(10)23/h5-6,9-12,22-24H,4H2,1-3H3,(H3,17,18,20,21)/t9?,10-,11-,12+/m1/s1
InChIKeyONFKFSDNQWDGEI-RDFFEMEHSA-N
XLogP0.78
TPSA137.41 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 50.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze (1R,2S,3R)-3-[[2-amino-5-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]amino]-5-(2-hydroxypropan-2-yl)cyclopentane-1,2-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R)-3-[[2-amino-5-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]amino]-5-(2-hydroxypropan-2-yl)cyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3R)-3-[[2-amino-5-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]amino]-5-(2-hydroxypropan-2-yl)cyclopentane-1,2-diol (CID 126703153) is (1R,2S,3R)-3-[[2-amino-5-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]amino]-5-(2-hydroxypropan-2-yl)cyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3R)-3-[[2-amino-5-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]amino]-5-(2-hydroxypropan-2-yl)cyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3R)-3-[[2-amino-5-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]amino]-5-(2-hydroxypropan-2-yl)cyclopentane-1,2-diol is Cc1csc(-c2cnc(N)nc2N[C@@H]2CC(C(C)(C)O)[C@@H](O)[C@H]2O)n1.
What is the InChIKey of (1R,2S,3R)-3-[[2-amino-5-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]amino]-5-(2-hydroxypropan-2-yl)cyclopentane-1,2-diol?
The InChIKey is ONFKFSDNQWDGEI-RDFFEMEHSA-N. The full InChI is InChI=1S/C16H23N5O3S/c1-7-6-25-14(19-7)8-5-18-15(17)21-13(8)20-10-4-9(16(2,3)24)11(22)12(10)23/h5-6,9-12,22-24H,4H2,1-3H3,(H3,17,18,20,21)/t9?,10-,11-,12+/m1/s1.
What are the key properties of (1R,2S,3R)-3-[[2-amino-5-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]amino]-5-(2-hydroxypropan-2-yl)cyclopentane-1,2-diol?
(1R,2S,3R)-3-[[2-amino-5-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]amino]-5-(2-hydroxypropan-2-yl)cyclopentane-1,2-diol has a molecular weight of 365.46 g/mol, XLogP of 0.78, 4 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R)-3-[[2-amino-5-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]amino]-5-(2-hydroxypropan-2-yl)cyclopentane-1,2-diol is sourced from PubChem (CID 126703153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).