(2R,3R,4R)-4-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxypentane-1,3,4-triol

C12H19N5O4 — CID 129302092

IUPAC(2R,3R,4R)-4-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxypentane-1,3,4-triol
SMILESCO[C@H](CO)[C@@H](O)[C@@](C)(O)n1ccc2c(N)nc(N)nc21
InChIInChI=1S/C12H19N5O4/c1-12(20,8(19)7(5-18)21-2)17-4-3-6-9(13)15-11(14)16-10(6)17/h3-4,7-8,18-20H,5H2,1-2H3,(H4,13,14,15,16)/t7-,8-,12-/m1/s1
InChIKeyYEJMYFOCXGKSLL-DNSOKLHBSA-N
MW297.32 g/mol
LogP-1.37
Rot. Bonds5

About (2R,3R,4R)-4-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxypentane-1,3,4-triol

(2R,3R,4R)-4-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxypentane-1,3,4-triol (PubChem CID 129302092) has the molecular formula C12H19N5O4 and a molecular weight of 297.32 g/mol. Its IUPAC name is (2R,3R,4R)-4-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxypentane-1,3,4-triol.

Molecular Properties

Compound Name(2R,3R,4R)-4-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxypentane-1,3,4-triol
PubChem CID129302092
Molecular FormulaC12H19N5O4
Molecular Weight297.32 g/mol
Exact Mass297.14
IUPAC Name(2R,3R,4R)-4-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxypentane-1,3,4-triol
SMILESCO[C@H](CO)[C@@H](O)[C@@](C)(O)n1ccc2c(N)nc(N)nc21
InChIInChI=1S/C12H19N5O4/c1-12(20,8(19)7(5-18)21-2)17-4-3-6-9(13)15-11(14)16-10(6)17/h3-4,7-8,18-20H,5H2,1-2H3,(H4,13,14,15,16)/t7-,8-,12-/m1/s1
InChIKeyYEJMYFOCXGKSLL-DNSOKLHBSA-N
XLogP-1.37
TPSA152.67 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 5-1.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-4-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxypentane-1,3,4-triol?
The IUPAC name of (2R,3R,4R)-4-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxypentane-1,3,4-triol (CID 129302092) is (2R,3R,4R)-4-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxypentane-1,3,4-triol.
What is the SMILES notation for (2R,3R,4R)-4-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxypentane-1,3,4-triol?
The canonical SMILES for (2R,3R,4R)-4-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxypentane-1,3,4-triol is CO[C@H](CO)[C@@H](O)[C@@](C)(O)n1ccc2c(N)nc(N)nc21.
What is the InChIKey of (2R,3R,4R)-4-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxypentane-1,3,4-triol?
The InChIKey is YEJMYFOCXGKSLL-DNSOKLHBSA-N. The full InChI is InChI=1S/C12H19N5O4/c1-12(20,8(19)7(5-18)21-2)17-4-3-6-9(13)15-11(14)16-10(6)17/h3-4,7-8,18-20H,5H2,1-2H3,(H4,13,14,15,16)/t7-,8-,12-/m1/s1.
What are the key properties of (2R,3R,4R)-4-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxypentane-1,3,4-triol?
(2R,3R,4R)-4-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxypentane-1,3,4-triol has a molecular weight of 297.32 g/mol, XLogP of -1.37, 5 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-4-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxypentane-1,3,4-triol is sourced from PubChem (CID 129302092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).