8-(diethylamino)-4-(2-methylanilino)chromeno[2,3-d]pyrimidin-2-one

C22H22N4O2 — CID 11440237

IUPAC8-(diethylamino)-4-(2-methylanilino)chromeno[2,3-d]pyrimidin-2-one
SMILESCCN(CC)c1ccc2cc3c(Nc4ccccc4C)nc(=O)nc-3oc2c1
InChIInChI=1S/C22H22N4O2/c1-4-26(5-2)16-11-10-15-12-17-20(23-18-9-7-6-8-14(18)3)24-22(27)25-21(17)28-19(15)13-16/h6-13H,4-5H2,1-3H3,(H,23,24,27)
InChIKeyPCSVIIHIZKCSML-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.59
Rot. Bonds5

About 8-(diethylamino)-4-(2-methylanilino)chromeno[2,3-d]pyrimidin-2-one

8-(diethylamino)-4-(2-methylanilino)chromeno[2,3-d]pyrimidin-2-one (PubChem CID 11440237) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 8-(diethylamino)-4-(2-methylanilino)chromeno[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name8-(diethylamino)-4-(2-methylanilino)chromeno[2,3-d]pyrimidin-2-one
PubChem CID11440237
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name8-(diethylamino)-4-(2-methylanilino)chromeno[2,3-d]pyrimidin-2-one
SMILESCCN(CC)c1ccc2cc3c(Nc4ccccc4C)nc(=O)nc-3oc2c1
InChIInChI=1S/C22H22N4O2/c1-4-26(5-2)16-11-10-15-12-17-20(23-18-9-7-6-8-14(18)3)24-22(27)25-21(17)28-19(15)13-16/h6-13H,4-5H2,1-3H3,(H,23,24,27)
InChIKeyPCSVIIHIZKCSML-UHFFFAOYSA-N
XLogP4.59
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(diethylamino)-4-(2-methylanilino)chromeno[2,3-d]pyrimidin-2-one?
The IUPAC name of 8-(diethylamino)-4-(2-methylanilino)chromeno[2,3-d]pyrimidin-2-one (CID 11440237) is 8-(diethylamino)-4-(2-methylanilino)chromeno[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 8-(diethylamino)-4-(2-methylanilino)chromeno[2,3-d]pyrimidin-2-one?
The canonical SMILES for 8-(diethylamino)-4-(2-methylanilino)chromeno[2,3-d]pyrimidin-2-one is CCN(CC)c1ccc2cc3c(Nc4ccccc4C)nc(=O)nc-3oc2c1.
What is the InChIKey of 8-(diethylamino)-4-(2-methylanilino)chromeno[2,3-d]pyrimidin-2-one?
The InChIKey is PCSVIIHIZKCSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-4-26(5-2)16-11-10-15-12-17-20(23-18-9-7-6-8-14(18)3)24-22(27)25-21(17)28-19(15)13-16/h6-13H,4-5H2,1-3H3,(H,23,24,27).
What are the key properties of 8-(diethylamino)-4-(2-methylanilino)chromeno[2,3-d]pyrimidin-2-one?
8-(diethylamino)-4-(2-methylanilino)chromeno[2,3-d]pyrimidin-2-one has a molecular weight of 374.44 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(diethylamino)-4-(2-methylanilino)chromeno[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 11440237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).