[4-(5-ethyl-4-methylpyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methanol

C17H24N4O3 — CID 20624749

IUPAC[4-(5-ethyl-4-methylpyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methanol
SMILESCCn1cc(C2NC(CO)C3OC(C)(C)OC23)c2ncnc(C)c21
InChIInChI=1S/C17H24N4O3/c1-5-21-6-10(12-14(21)9(2)18-8-19-12)13-16-15(11(7-22)20-13)23-17(3,4)24-16/h6,8,11,13,15-16,20,22H,5,7H2,1-4H3
InChIKeyMZXSJMHCGWGQBG-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.28
Rot. Bonds3

About [4-(5-ethyl-4-methylpyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methanol

[4-(5-ethyl-4-methylpyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methanol (PubChem CID 20624749) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is [4-(5-ethyl-4-methylpyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methanol.

Molecular Properties

Compound Name[4-(5-ethyl-4-methylpyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methanol
PubChem CID20624749
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name[4-(5-ethyl-4-methylpyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methanol
SMILESCCn1cc(C2NC(CO)C3OC(C)(C)OC23)c2ncnc(C)c21
InChIInChI=1S/C17H24N4O3/c1-5-21-6-10(12-14(21)9(2)18-8-19-12)13-16-15(11(7-22)20-13)23-17(3,4)24-16/h6,8,11,13,15-16,20,22H,5,7H2,1-4H3
InChIKeyMZXSJMHCGWGQBG-UHFFFAOYSA-N
XLogP1.28
TPSA81.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [4-(5-ethyl-4-methylpyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-(5-ethyl-4-methylpyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methanol?
The IUPAC name of [4-(5-ethyl-4-methylpyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methanol (CID 20624749) is [4-(5-ethyl-4-methylpyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methanol.
What is the SMILES notation for [4-(5-ethyl-4-methylpyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methanol?
The canonical SMILES for [4-(5-ethyl-4-methylpyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methanol is CCn1cc(C2NC(CO)C3OC(C)(C)OC23)c2ncnc(C)c21.
What is the InChIKey of [4-(5-ethyl-4-methylpyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methanol?
The InChIKey is MZXSJMHCGWGQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-5-21-6-10(12-14(21)9(2)18-8-19-12)13-16-15(11(7-22)20-13)23-17(3,4)24-16/h6,8,11,13,15-16,20,22H,5,7H2,1-4H3.
What are the key properties of [4-(5-ethyl-4-methylpyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methanol?
[4-(5-ethyl-4-methylpyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methanol has a molecular weight of 332.40 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-ethyl-4-methylpyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methanol is sourced from PubChem (CID 20624749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).