3-[7-(furan-2-ylmethyl)-4-imino-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-yl]propan-1-ol

C26H24N4O2 — CID 3784610

IUPAC3-[7-(furan-2-ylmethyl)-4-imino-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-yl]propan-1-ol
SMILES[H]/N=c1/c2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccco3)c2ncn1CCCO
InChIInChI=1S/C26H24N4O2/c27-25-23-22(19-9-3-1-4-10-19)24(20-11-5-2-6-12-20)30(17-21-13-7-16-32-21)26(23)28-18-29(25)14-8-15-31/h1-7,9-13,16,18,27,31H,8,14-15,17H2/b27-25-
InChIKeyVDGZCTYOSDPULF-RFBIWTDZSA-N
MW424.50 g/mol
LogP4.67
Rot. Bonds7

About 3-[7-(furan-2-ylmethyl)-4-imino-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-yl]propan-1-ol

3-[7-(furan-2-ylmethyl)-4-imino-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-yl]propan-1-ol (PubChem CID 3784610) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 3-[7-(furan-2-ylmethyl)-4-imino-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[7-(furan-2-ylmethyl)-4-imino-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-yl]propan-1-ol
PubChem CID3784610
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name3-[7-(furan-2-ylmethyl)-4-imino-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-yl]propan-1-ol
SMILES[H]/N=c1/c2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccco3)c2ncn1CCCO
InChIInChI=1S/C26H24N4O2/c27-25-23-22(19-9-3-1-4-10-19)24(20-11-5-2-6-12-20)30(17-21-13-7-16-32-21)26(23)28-18-29(25)14-8-15-31/h1-7,9-13,16,18,27,31H,8,14-15,17H2/b27-25-
InChIKeyVDGZCTYOSDPULF-RFBIWTDZSA-N
XLogP4.67
TPSA79.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[7-(furan-2-ylmethyl)-4-imino-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-yl]propan-1-ol?
The IUPAC name of 3-[7-(furan-2-ylmethyl)-4-imino-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-yl]propan-1-ol (CID 3784610) is 3-[7-(furan-2-ylmethyl)-4-imino-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[7-(furan-2-ylmethyl)-4-imino-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-yl]propan-1-ol?
The canonical SMILES for 3-[7-(furan-2-ylmethyl)-4-imino-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-yl]propan-1-ol is [H]/N=c1/c2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccco3)c2ncn1CCCO.
What is the InChIKey of 3-[7-(furan-2-ylmethyl)-4-imino-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-yl]propan-1-ol?
The InChIKey is VDGZCTYOSDPULF-RFBIWTDZSA-N. The full InChI is InChI=1S/C26H24N4O2/c27-25-23-22(19-9-3-1-4-10-19)24(20-11-5-2-6-12-20)30(17-21-13-7-16-32-21)26(23)28-18-29(25)14-8-15-31/h1-7,9-13,16,18,27,31H,8,14-15,17H2/b27-25-.
What are the key properties of 3-[7-(furan-2-ylmethyl)-4-imino-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-yl]propan-1-ol?
3-[7-(furan-2-ylmethyl)-4-imino-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-yl]propan-1-ol has a molecular weight of 424.50 g/mol, XLogP of 4.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(furan-2-ylmethyl)-4-imino-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-yl]propan-1-ol is sourced from PubChem (CID 3784610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).