[(3aS,6R,6aR)-2,2-dimethyl-4-(5H-pyrrolo[3,2-d]pyrimidin-7-yl)-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methanol

C14H18N4O3 — CID 68898297

IUPAC[(3aS,6R,6aR)-2,2-dimethyl-4-(5H-pyrrolo[3,2-d]pyrimidin-7-yl)-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methanol
SMILESCC1(C)O[C@@H]2[C@@H](CO)NC(c3c[nH]c4cncnc34)[C@@H]2O1
InChIInChI=1S/C14H18N4O3/c1-14(2)20-12-9(5-19)18-11(13(12)21-14)7-3-16-8-4-15-6-17-10(7)8/h3-4,6,9,11-13,16,18-19H,5H2,1-2H3/t9-,11?,12-,13+/m1/s1
InChIKeyWFKBPLZRONAHOJ-NSNUZPRRSA-N
MW290.32 g/mol
LogP0.48
Rot. Bonds2

About [(3aS,6R,6aR)-2,2-dimethyl-4-(5H-pyrrolo[3,2-d]pyrimidin-7-yl)-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methanol

[(3aS,6R,6aR)-2,2-dimethyl-4-(5H-pyrrolo[3,2-d]pyrimidin-7-yl)-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methanol (PubChem CID 68898297) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is [(3aS,6R,6aR)-2,2-dimethyl-4-(5H-pyrrolo[3,2-d]pyrimidin-7-yl)-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methanol.

Molecular Properties

Compound Name[(3aS,6R,6aR)-2,2-dimethyl-4-(5H-pyrrolo[3,2-d]pyrimidin-7-yl)-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methanol
PubChem CID68898297
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name[(3aS,6R,6aR)-2,2-dimethyl-4-(5H-pyrrolo[3,2-d]pyrimidin-7-yl)-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methanol
SMILESCC1(C)O[C@@H]2[C@@H](CO)NC(c3c[nH]c4cncnc34)[C@@H]2O1
InChIInChI=1S/C14H18N4O3/c1-14(2)20-12-9(5-19)18-11(13(12)21-14)7-3-16-8-4-15-6-17-10(7)8/h3-4,6,9,11-13,16,18-19H,5H2,1-2H3/t9-,11?,12-,13+/m1/s1
InChIKeyWFKBPLZRONAHOJ-NSNUZPRRSA-N
XLogP0.48
TPSA92.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [(3aS,6R,6aR)-2,2-dimethyl-4-(5H-pyrrolo[3,2-d]pyrimidin-7-yl)-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3aS,6R,6aR)-2,2-dimethyl-4-(5H-pyrrolo[3,2-d]pyrimidin-7-yl)-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methanol?
The IUPAC name of [(3aS,6R,6aR)-2,2-dimethyl-4-(5H-pyrrolo[3,2-d]pyrimidin-7-yl)-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methanol (CID 68898297) is [(3aS,6R,6aR)-2,2-dimethyl-4-(5H-pyrrolo[3,2-d]pyrimidin-7-yl)-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methanol.
What is the SMILES notation for [(3aS,6R,6aR)-2,2-dimethyl-4-(5H-pyrrolo[3,2-d]pyrimidin-7-yl)-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methanol?
The canonical SMILES for [(3aS,6R,6aR)-2,2-dimethyl-4-(5H-pyrrolo[3,2-d]pyrimidin-7-yl)-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methanol is CC1(C)O[C@@H]2[C@@H](CO)NC(c3c[nH]c4cncnc34)[C@@H]2O1.
What is the InChIKey of [(3aS,6R,6aR)-2,2-dimethyl-4-(5H-pyrrolo[3,2-d]pyrimidin-7-yl)-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methanol?
The InChIKey is WFKBPLZRONAHOJ-NSNUZPRRSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-14(2)20-12-9(5-19)18-11(13(12)21-14)7-3-16-8-4-15-6-17-10(7)8/h3-4,6,9,11-13,16,18-19H,5H2,1-2H3/t9-,11?,12-,13+/m1/s1.
What are the key properties of [(3aS,6R,6aR)-2,2-dimethyl-4-(5H-pyrrolo[3,2-d]pyrimidin-7-yl)-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methanol?
[(3aS,6R,6aR)-2,2-dimethyl-4-(5H-pyrrolo[3,2-d]pyrimidin-7-yl)-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methanol has a molecular weight of 290.32 g/mol, XLogP of 0.48, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6R,6aR)-2,2-dimethyl-4-(5H-pyrrolo[3,2-d]pyrimidin-7-yl)-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methanol is sourced from PubChem (CID 68898297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).