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

C11H16N4O2 — CID 144929560

IUPAC4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxybutan-1-ol
SMILESCOC(CO)CCn1ccc2c(N)ncnc21
InChIInChI=1S/C11H16N4O2/c1-17-8(6-16)2-4-15-5-3-9-10(12)13-7-14-11(9)15/h3,5,7-8,16H,2,4,6H2,1H3,(H2,12,13,14)
InChIKeyFBFVNBCWHPQYGF-UHFFFAOYSA-N
MW236.28 g/mol
LogP0.41
Rot. Bonds5

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

4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxybutan-1-ol (PubChem CID 144929560) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxybutan-1-ol.

Molecular Properties

Compound Name4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxybutan-1-ol
PubChem CID144929560
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Name4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxybutan-1-ol
SMILESCOC(CO)CCn1ccc2c(N)ncnc21
InChIInChI=1S/C11H16N4O2/c1-17-8(6-16)2-4-15-5-3-9-10(12)13-7-14-11(9)15/h3,5,7-8,16H,2,4,6H2,1H3,(H2,12,13,14)
InChIKeyFBFVNBCWHPQYGF-UHFFFAOYSA-N
XLogP0.41
TPSA86.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxybutan-1-ol?
The IUPAC name of 4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxybutan-1-ol (CID 144929560) is 4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxybutan-1-ol.
What is the SMILES notation for 4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxybutan-1-ol?
The canonical SMILES for 4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxybutan-1-ol is COC(CO)CCn1ccc2c(N)ncnc21.
What is the InChIKey of 4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxybutan-1-ol?
The InChIKey is FBFVNBCWHPQYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-17-8(6-16)2-4-15-5-3-9-10(12)13-7-14-11(9)15/h3,5,7-8,16H,2,4,6H2,1H3,(H2,12,13,14).
What are the key properties of 4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxybutan-1-ol?
4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxybutan-1-ol has a molecular weight of 236.28 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxybutan-1-ol is sourced from PubChem (CID 144929560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).