4-amino-2-pyridin-3-ylchromeno[4,3-d]pyrimidin-5-one

C16H10N4O2 — CID 685105

IUPAC4-amino-2-pyridin-3-ylchromeno[4,3-d]pyrimidin-5-one
SMILESNc1nc(-c2cccnc2)nc2c1c(=O)oc1ccccc12
InChIInChI=1S/C16H10N4O2/c17-14-12-13(10-5-1-2-6-11(10)22-16(12)21)19-15(20-14)9-4-3-7-18-8-9/h1-8H,(H2,17,19,20)
InChIKeyJZYCISJUXYOTRO-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.38
Rot. Bonds1

About 4-amino-2-pyridin-3-ylchromeno[4,3-d]pyrimidin-5-one

4-amino-2-pyridin-3-ylchromeno[4,3-d]pyrimidin-5-one (PubChem CID 685105) has the molecular formula C16H10N4O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is 4-amino-2-pyridin-3-ylchromeno[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name4-amino-2-pyridin-3-ylchromeno[4,3-d]pyrimidin-5-one
PubChem CID685105
Molecular FormulaC16H10N4O2
Molecular Weight290.28 g/mol
Exact Mass290.08
IUPAC Name4-amino-2-pyridin-3-ylchromeno[4,3-d]pyrimidin-5-one
SMILESNc1nc(-c2cccnc2)nc2c1c(=O)oc1ccccc12
InChIInChI=1S/C16H10N4O2/c17-14-12-13(10-5-1-2-6-11(10)22-16(12)21)19-15(20-14)9-4-3-7-18-8-9/h1-8H,(H2,17,19,20)
InChIKeyJZYCISJUXYOTRO-UHFFFAOYSA-N
XLogP2.38
TPSA94.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-thiophen-2-ylchromeno[4,3-d]pyrimidin-5-one
CID 21230603
[3-(4-amino-5-oxochromeno[4,3-d]pyrimidin-2-yl)phenyl] 4-fluorobenzenesulfonate
CID 171347595
4-amino-2-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]chromeno[4,3-d]pyrimidin-5-one
CID 53360046
7-amino-6-oxo-9-pyridin-3-ylbenzo[c]chromene-8-carbonitrile
CID 2817118
4-(12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-yl)-2-pyridin-3-yl-[1]benzofuro[3,2-d]pyrimidine
CID 146392168
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-(3-phenylphenyl)-2-[4-[4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 162140506
4-amino-8-[3-(diethylamino)propoxy]-2-[3-[3-(diethylamino)propoxy]phenyl]chromeno[4,3-d]pyrimidin-5-one
CID 53360174
2-dibenzofuran-3-yl-4-(1-dibenzofuran-3-yldibenzofuran-4-yl)-6-pyridin-3-yl-1,3,5-triazine
CID 155077776
2-[3,5-di(dibenzofuran-1-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130263357
2-[3,5-di(anthracen-9-yl)phenyl]-4-dibenzofuran-3-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 153466295
3-(3-methyl-1-benzofuran-2-yl)pyridine
CID 122397870
2-dibenzofuran-3-yl-4-[4-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-pyridin-3-yl-1,3,5-triazine
CID 155077751

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-pyridin-3-ylchromeno[4,3-d]pyrimidin-5-one?
The IUPAC name of 4-amino-2-pyridin-3-ylchromeno[4,3-d]pyrimidin-5-one (CID 685105) is 4-amino-2-pyridin-3-ylchromeno[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 4-amino-2-pyridin-3-ylchromeno[4,3-d]pyrimidin-5-one?
The canonical SMILES for 4-amino-2-pyridin-3-ylchromeno[4,3-d]pyrimidin-5-one is Nc1nc(-c2cccnc2)nc2c1c(=O)oc1ccccc12.
What is the InChIKey of 4-amino-2-pyridin-3-ylchromeno[4,3-d]pyrimidin-5-one?
The InChIKey is JZYCISJUXYOTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O2/c17-14-12-13(10-5-1-2-6-11(10)22-16(12)21)19-15(20-14)9-4-3-7-18-8-9/h1-8H,(H2,17,19,20).
What are the key properties of 4-amino-2-pyridin-3-ylchromeno[4,3-d]pyrimidin-5-one?
4-amino-2-pyridin-3-ylchromeno[4,3-d]pyrimidin-5-one has a molecular weight of 290.28 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-pyridin-3-ylchromeno[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 685105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).