acetaldehyde;4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxybutan-1-ol;ethane

C15H26N4O3 — CID 144929559

IUPACacetaldehyde;4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxybutan-1-ol;ethane
SMILESCC.CC=O.COC(CO)CCn1ccc2c(N)ncnc21
InChIInChI=1S/C11H16N4O2.C2H4O.C2H6/c1-17-8(6-16)2-4-15-5-3-9-10(12)13-7-14-11(9)15;1-2-3;1-2/h3,5,7-8,16H,2,4,6H2,1H3,(H2,12,13,14);2H,1H3;1-2H3
InChIKeyKBBJTIFJTBOKBP-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.64
Rot. Bonds5

About acetaldehyde;4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxybutan-1-ol;ethane

acetaldehyde;4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxybutan-1-ol;ethane (PubChem CID 144929559) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is acetaldehyde;4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxybutan-1-ol;ethane.

Molecular Properties

Compound Nameacetaldehyde;4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxybutan-1-ol;ethane
PubChem CID144929559
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Nameacetaldehyde;4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxybutan-1-ol;ethane
SMILESCC.CC=O.COC(CO)CCn1ccc2c(N)ncnc21
InChIInChI=1S/C11H16N4O2.C2H4O.C2H6/c1-17-8(6-16)2-4-15-5-3-9-10(12)13-7-14-11(9)15;1-2-3;1-2/h3,5,7-8,16H,2,4,6H2,1H3,(H2,12,13,14);2H,1H3;1-2H3
InChIKeyKBBJTIFJTBOKBP-UHFFFAOYSA-N
XLogP1.64
TPSA103.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxybutan-1-ol;ethane?
The IUPAC name of acetaldehyde;4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxybutan-1-ol;ethane (CID 144929559) is acetaldehyde;4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxybutan-1-ol;ethane.
What is the SMILES notation for acetaldehyde;4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxybutan-1-ol;ethane?
The canonical SMILES for acetaldehyde;4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxybutan-1-ol;ethane is CC.CC=O.COC(CO)CCn1ccc2c(N)ncnc21.
What is the InChIKey of acetaldehyde;4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxybutan-1-ol;ethane?
The InChIKey is KBBJTIFJTBOKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2.C2H4O.C2H6/c1-17-8(6-16)2-4-15-5-3-9-10(12)13-7-14-11(9)15;1-2-3;1-2/h3,5,7-8,16H,2,4,6H2,1H3,(H2,12,13,14);2H,1H3;1-2H3.
What are the key properties of acetaldehyde;4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxybutan-1-ol;ethane?
acetaldehyde;4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxybutan-1-ol;ethane has a molecular weight of 310.40 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxybutan-1-ol;ethane is sourced from PubChem (CID 144929559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).