2,4-diaminochromeno[2,3-d]pyrimidin-5-one

C11H8N4O2 — CID 125492829

IUPAC2,4-diaminochromeno[2,3-d]pyrimidin-5-one
SMILESNc1nc(N)c2c(=O)c3ccccc3oc2n1
InChIInChI=1S/C11H8N4O2/c12-9-7-8(16)5-3-1-2-4-6(5)17-10(7)15-11(13)14-9/h1-4H,(H4,12,13,14,15)
InChIKeyIFQJWJNTODJTCS-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.90
Rot. Bonds

About 2,4-diaminochromeno[2,3-d]pyrimidin-5-one

2,4-diaminochromeno[2,3-d]pyrimidin-5-one (PubChem CID 125492829) has the molecular formula C11H8N4O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 2,4-diaminochromeno[2,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2,4-diaminochromeno[2,3-d]pyrimidin-5-one
PubChem CID125492829
Molecular FormulaC11H8N4O2
Molecular Weight228.21 g/mol
Exact Mass228.06
IUPAC Name2,4-diaminochromeno[2,3-d]pyrimidin-5-one
SMILESNc1nc(N)c2c(=O)c3ccccc3oc2n1
InChIInChI=1S/C11H8N4O2/c12-9-7-8(16)5-3-1-2-4-6(5)17-10(7)15-11(13)14-9/h1-4H,(H4,12,13,14,15)
InChIKeyIFQJWJNTODJTCS-UHFFFAOYSA-N
XLogP0.90
TPSA108.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-7-ethyl-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carbonitrile
CID 619587
5-Benzoyl-6-(cyclohexylmethoxy)pyrimidine-2,4-diamine
CID 5329596
2-amino-7-fluoro-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxamide
CID 10038928
5H-1 Benzopyrano 2,3-b pyridin-5-one, 2-(Dimethylamino)-
CID 360210
2-Amino-7-methyl-5-oxo-5H-(1)benzopyrano(2,3-b)pyridine-3-carbonitrile
CID 703039
2-Amino-5-oxo-5H-(1)benzopyrano(2,3-b)pyridine-3-carbonitrile
CID 616970
N',2-diamino-7-(cyclohexen-1-yl)-5-oxochromeno[2,3-b]pyridine-3-carboximidamide
CID 130289508
4-Amino-2-(2-oxochromen-3-yl)chromeno[4,3-d]pyrimidin-5-one
CID 987609
4-Amino-8-methyl-6h-chromeno[3',2':5,6]pyrido[2,3-d]pyrimidin-6-one
CID 129877482
6-(Cyclohexylmethoxy)-5-(furan-2-yl)pyrimidine-2,4-diamine
CID 46221880
2-Amino-4-phenyl-6-[2-(trifluoromethyl)phenoxy]pyrimidine-5-carboxamide
CID 69531154
[4-Amino-2-(methylamino)pyrimidin-5-yl]-(5-fluoro-2-methoxyphenyl)methanone
CID 70954509

Frequently Asked Questions

What is the IUPAC name of 2,4-diaminochromeno[2,3-d]pyrimidin-5-one?
The IUPAC name of 2,4-diaminochromeno[2,3-d]pyrimidin-5-one (CID 125492829) is 2,4-diaminochromeno[2,3-d]pyrimidin-5-one.
What is the SMILES notation for 2,4-diaminochromeno[2,3-d]pyrimidin-5-one?
The canonical SMILES for 2,4-diaminochromeno[2,3-d]pyrimidin-5-one is Nc1nc(N)c2c(=O)c3ccccc3oc2n1.
What is the InChIKey of 2,4-diaminochromeno[2,3-d]pyrimidin-5-one?
The InChIKey is IFQJWJNTODJTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2/c12-9-7-8(16)5-3-1-2-4-6(5)17-10(7)15-11(13)14-9/h1-4H,(H4,12,13,14,15).
What are the key properties of 2,4-diaminochromeno[2,3-d]pyrimidin-5-one?
2,4-diaminochromeno[2,3-d]pyrimidin-5-one has a molecular weight of 228.21 g/mol, XLogP of 0.90, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diaminochromeno[2,3-d]pyrimidin-5-one is sourced from PubChem (CID 125492829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).