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

C14H10N2O2 — CID 154732245

IUPAC2-cyclopropylchromeno[4,3-d]pyrimidin-5-one
SMILESO=c1oc2ccccc2c2nc(C3CC3)ncc12
InChIInChI=1S/C14H10N2O2/c17-14-10-7-15-13(8-5-6-8)16-12(10)9-3-1-2-4-11(9)18-14/h1-4,7-8H,5-6H2
InChIKeyPHRQYVRVSHFNEB-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.61
Rot. Bonds1

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

2-cyclopropylchromeno[4,3-d]pyrimidin-5-one (PubChem CID 154732245) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-cyclopropylchromeno[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-cyclopropylchromeno[4,3-d]pyrimidin-5-one
PubChem CID154732245
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name2-cyclopropylchromeno[4,3-d]pyrimidin-5-one
SMILESO=c1oc2ccccc2c2nc(C3CC3)ncc12
InChIInChI=1S/C14H10N2O2/c17-14-10-7-15-13(8-5-6-8)16-12(10)9-3-1-2-4-11(9)18-14/h1-4,7-8H,5-6H2
InChIKeyPHRQYVRVSHFNEB-UHFFFAOYSA-N
XLogP2.61
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-benzylchromeno[4,3-d]pyrimidin-5-one
CID 86055767
2-[(4-bromophenyl)methyl]chromeno[4,3-d]pyrimidin-5-one
CID 11462739
chromeno[3,4-b]pyrazin-5-one
CID 691239
11,27-dioxa-3,19-diazaheptacyclo[16.12.0.02,15.04,13.05,10.020,29.021,26]triaconta-1(18),2,4(13),5,7,9,14,19,21,23,25,29-dodecaene-12,28-dione
CID 177476911
8,17-dioxaheptacyclo[22.6.6.02,7.010,15.018,23.025,30.031,36]hexatriaconta-1(31),2,4,6,10,12,14,18,20,22,24(36),25,27,29,32,34-hexadecaene-9,16-dione
CID 59760668
1-(cyclohexylmethyl)chromeno[3,4-d]imidazol-4-one
CID 22434306
2-cyclopropyl-N-dibenzofuran-3-ylpyrimidine-4-carboxamide
CID 86939315
3-(3-ethoxypropyl)chromeno[3,4-b]pyrazin-5-one
CID 171804142
1,2-dimethylchromeno[3,4-d]imidazol-4-one
CID 773639
4-cyclohexyl-3-methylchromen-2-one
CID 11195874
4-chloro-2-[(2R)-oxolan-2-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 99987817
4,6-dichloro-3-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-2-one
CID 24912722

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylchromeno[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-cyclopropylchromeno[4,3-d]pyrimidin-5-one (CID 154732245) is 2-cyclopropylchromeno[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-cyclopropylchromeno[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-cyclopropylchromeno[4,3-d]pyrimidin-5-one is O=c1oc2ccccc2c2nc(C3CC3)ncc12.
What is the InChIKey of 2-cyclopropylchromeno[4,3-d]pyrimidin-5-one?
The InChIKey is PHRQYVRVSHFNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c17-14-10-7-15-13(8-5-6-8)16-12(10)9-3-1-2-4-11(9)18-14/h1-4,7-8H,5-6H2.
What are the key properties of 2-cyclopropylchromeno[4,3-d]pyrimidin-5-one?
2-cyclopropylchromeno[4,3-d]pyrimidin-5-one has a molecular weight of 238.25 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylchromeno[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 154732245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).