5-(furan-2-yl)-3-(3-imidazol-1-ylpropyl)-4-imino-5H-chromeno[2,3-d]pyrimidin-8-ol

C21H19N5O3 — CID 4898905

IUPAC5-(furan-2-yl)-3-(3-imidazol-1-ylpropyl)-4-imino-5H-chromeno[2,3-d]pyrimidin-8-ol
SMILES[H]/N=c1/c2c(ncn1CCCn1ccnc1)Oc1cc(O)ccc1C2c1ccco1
InChIInChI=1S/C21H19N5O3/c22-20-19-18(16-3-1-10-28-16)15-5-4-14(27)11-17(15)29-21(19)24-13-26(20)8-2-7-25-9-6-23-12-25/h1,3-6,9-13,18,22,27H,2,7-8H2/b22-20-
InChIKeyZLVBRMQYCVJVLY-XDOYNYLZSA-N
MW389.42 g/mol
LogP3.23
Rot. Bonds5

About 5-(furan-2-yl)-3-(3-imidazol-1-ylpropyl)-4-imino-5H-chromeno[2,3-d]pyrimidin-8-ol

5-(furan-2-yl)-3-(3-imidazol-1-ylpropyl)-4-imino-5H-chromeno[2,3-d]pyrimidin-8-ol (PubChem CID 4898905) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-(3-imidazol-1-ylpropyl)-4-imino-5H-chromeno[2,3-d]pyrimidin-8-ol.

Molecular Properties

Compound Name5-(furan-2-yl)-3-(3-imidazol-1-ylpropyl)-4-imino-5H-chromeno[2,3-d]pyrimidin-8-ol
PubChem CID4898905
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC Name5-(furan-2-yl)-3-(3-imidazol-1-ylpropyl)-4-imino-5H-chromeno[2,3-d]pyrimidin-8-ol
SMILES[H]/N=c1/c2c(ncn1CCCn1ccnc1)Oc1cc(O)ccc1C2c1ccco1
InChIInChI=1S/C21H19N5O3/c22-20-19-18(16-3-1-10-28-16)15-5-4-14(27)11-17(15)29-21(19)24-13-26(20)8-2-7-25-9-6-23-12-25/h1,3-6,9-13,18,22,27H,2,7-8H2/b22-20-
InChIKeyZLVBRMQYCVJVLY-XDOYNYLZSA-N
XLogP3.23
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-(furan-2-yl)-3-(3-imidazol-1-ylpropyl)-4-imino-5H-chromeno[2,3-d]pyrimidin-8-ol 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 5-(furan-2-yl)-3-(3-imidazol-1-ylpropyl)-4-imino-5H-chromeno[2,3-d]pyrimidin-8-ol?
The IUPAC name of 5-(furan-2-yl)-3-(3-imidazol-1-ylpropyl)-4-imino-5H-chromeno[2,3-d]pyrimidin-8-ol (CID 4898905) is 5-(furan-2-yl)-3-(3-imidazol-1-ylpropyl)-4-imino-5H-chromeno[2,3-d]pyrimidin-8-ol.
What is the SMILES notation for 5-(furan-2-yl)-3-(3-imidazol-1-ylpropyl)-4-imino-5H-chromeno[2,3-d]pyrimidin-8-ol?
The canonical SMILES for 5-(furan-2-yl)-3-(3-imidazol-1-ylpropyl)-4-imino-5H-chromeno[2,3-d]pyrimidin-8-ol is [H]/N=c1/c2c(ncn1CCCn1ccnc1)Oc1cc(O)ccc1C2c1ccco1.
What is the InChIKey of 5-(furan-2-yl)-3-(3-imidazol-1-ylpropyl)-4-imino-5H-chromeno[2,3-d]pyrimidin-8-ol?
The InChIKey is ZLVBRMQYCVJVLY-XDOYNYLZSA-N. The full InChI is InChI=1S/C21H19N5O3/c22-20-19-18(16-3-1-10-28-16)15-5-4-14(27)11-17(15)29-21(19)24-13-26(20)8-2-7-25-9-6-23-12-25/h1,3-6,9-13,18,22,27H,2,7-8H2/b22-20-.
What are the key properties of 5-(furan-2-yl)-3-(3-imidazol-1-ylpropyl)-4-imino-5H-chromeno[2,3-d]pyrimidin-8-ol?
5-(furan-2-yl)-3-(3-imidazol-1-ylpropyl)-4-imino-5H-chromeno[2,3-d]pyrimidin-8-ol has a molecular weight of 389.42 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-(3-imidazol-1-ylpropyl)-4-imino-5H-chromeno[2,3-d]pyrimidin-8-ol is sourced from PubChem (CID 4898905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).