2H-chromeno[2,3-d]pyrimidine

C11H8N2O — CID 129279576

IUPAC2H-chromeno[2,3-d]pyrimidine
SMILESC1=NCN=C2Oc3ccccc3C=C12
InChIInChI=1S/C11H8N2O/c1-2-4-10-8(3-1)5-9-6-12-7-13-11(9)14-10/h1-6H,7H2
InChIKeySUQKURZBBKGHAW-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.90
Rot. Bonds

About 2H-chromeno[2,3-d]pyrimidine

2H-chromeno[2,3-d]pyrimidine (PubChem CID 129279576) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 2H-chromeno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2H-chromeno[2,3-d]pyrimidine
PubChem CID129279576
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name2H-chromeno[2,3-d]pyrimidine
SMILESC1=NCN=C2Oc3ccccc3C=C12
InChIInChI=1S/C11H8N2O/c1-2-4-10-8(3-1)5-9-6-12-7-13-11(9)14-10/h1-6H,7H2
InChIKeySUQKURZBBKGHAW-UHFFFAOYSA-N
XLogP1.90
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-chromeno[2,3-d]pyrimidine?
The IUPAC name of 2H-chromeno[2,3-d]pyrimidine (CID 129279576) is 2H-chromeno[2,3-d]pyrimidine.
What is the SMILES notation for 2H-chromeno[2,3-d]pyrimidine?
The canonical SMILES for 2H-chromeno[2,3-d]pyrimidine is C1=NCN=C2Oc3ccccc3C=C12.
What is the InChIKey of 2H-chromeno[2,3-d]pyrimidine?
The InChIKey is SUQKURZBBKGHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c1-2-4-10-8(3-1)5-9-6-12-7-13-11(9)14-10/h1-6H,7H2.
What are the key properties of 2H-chromeno[2,3-d]pyrimidine?
2H-chromeno[2,3-d]pyrimidine has a molecular weight of 184.20 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-chromeno[2,3-d]pyrimidine is sourced from PubChem (CID 129279576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).