(1R,2S,3R,5R)-3-[(4-chloro-6-methyl-1,3,5-triazin-2-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol

C10H15ClN4O3 — CID 59671237

IUPAC(1R,2S,3R,5R)-3-[(4-chloro-6-methyl-1,3,5-triazin-2-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
SMILESCc1nc(Cl)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1
InChIInChI=1S/C10H15ClN4O3/c1-4-12-9(11)15-10(13-4)14-6-2-5(3-16)7(17)8(6)18/h5-8,16-18H,2-3H2,1H3,(H,12,13,14,15)/t5-,6-,7-,8+/m1/s1
InChIKeyQITAVLYFPCRTEP-XUTVFYLZSA-N
MW274.71 g/mol
LogP-0.65
Rot. Bonds3

About (1R,2S,3R,5R)-3-[(4-chloro-6-methyl-1,3,5-triazin-2-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol

(1R,2S,3R,5R)-3-[(4-chloro-6-methyl-1,3,5-triazin-2-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol (PubChem CID 59671237) has the molecular formula C10H15ClN4O3 and a molecular weight of 274.71 g/mol. Its IUPAC name is (1R,2S,3R,5R)-3-[(4-chloro-6-methyl-1,3,5-triazin-2-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R,5R)-3-[(4-chloro-6-methyl-1,3,5-triazin-2-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
PubChem CID59671237
Molecular FormulaC10H15ClN4O3
Molecular Weight274.71 g/mol
Exact Mass274.08
IUPAC Name(1R,2S,3R,5R)-3-[(4-chloro-6-methyl-1,3,5-triazin-2-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
SMILESCc1nc(Cl)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1
InChIInChI=1S/C10H15ClN4O3/c1-4-12-9(11)15-10(13-4)14-6-2-5(3-16)7(17)8(6)18/h5-8,16-18H,2-3H2,1H3,(H,12,13,14,15)/t5-,6-,7-,8+/m1/s1
InChIKeyQITAVLYFPCRTEP-XUTVFYLZSA-N
XLogP-0.65
TPSA111.39 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 5-0.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5R)-3-[(4-chloro-6-methyl-1,3,5-triazin-2-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3R,5R)-3-[(4-chloro-6-methyl-1,3,5-triazin-2-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol (CID 59671237) is (1R,2S,3R,5R)-3-[(4-chloro-6-methyl-1,3,5-triazin-2-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3R,5R)-3-[(4-chloro-6-methyl-1,3,5-triazin-2-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3R,5R)-3-[(4-chloro-6-methyl-1,3,5-triazin-2-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol is Cc1nc(Cl)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1.
What is the InChIKey of (1R,2S,3R,5R)-3-[(4-chloro-6-methyl-1,3,5-triazin-2-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
The InChIKey is QITAVLYFPCRTEP-XUTVFYLZSA-N. The full InChI is InChI=1S/C10H15ClN4O3/c1-4-12-9(11)15-10(13-4)14-6-2-5(3-16)7(17)8(6)18/h5-8,16-18H,2-3H2,1H3,(H,12,13,14,15)/t5-,6-,7-,8+/m1/s1.
What are the key properties of (1R,2S,3R,5R)-3-[(4-chloro-6-methyl-1,3,5-triazin-2-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
(1R,2S,3R,5R)-3-[(4-chloro-6-methyl-1,3,5-triazin-2-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol has a molecular weight of 274.71 g/mol, XLogP of -0.65, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5R)-3-[(4-chloro-6-methyl-1,3,5-triazin-2-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol is sourced from PubChem (CID 59671237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).