7-(6-chloro-2-methylpyrimidin-4-yl)oxy-4-propylchromen-2-one

C17H15ClN2O3 — CID 133280797

IUPAC7-(6-chloro-2-methylpyrimidin-4-yl)oxy-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2cc(Oc3cc(Cl)nc(C)n3)ccc12
InChIInChI=1S/C17H15ClN2O3/c1-3-4-11-7-17(21)23-14-8-12(5-6-13(11)14)22-16-9-15(18)19-10(2)20-16/h5-9H,3-4H2,1-2H3
InChIKeyIQYZZXYAHCZEQR-UHFFFAOYSA-N
MW330.77 g/mol
LogP4.29
Rot. Bonds4

About 7-(6-chloro-2-methylpyrimidin-4-yl)oxy-4-propylchromen-2-one

7-(6-chloro-2-methylpyrimidin-4-yl)oxy-4-propylchromen-2-one (PubChem CID 133280797) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is 7-(6-chloro-2-methylpyrimidin-4-yl)oxy-4-propylchromen-2-one.

Molecular Properties

Compound Name7-(6-chloro-2-methylpyrimidin-4-yl)oxy-4-propylchromen-2-one
PubChem CID133280797
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Name7-(6-chloro-2-methylpyrimidin-4-yl)oxy-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2cc(Oc3cc(Cl)nc(C)n3)ccc12
InChIInChI=1S/C17H15ClN2O3/c1-3-4-11-7-17(21)23-14-8-12(5-6-13(11)14)22-16-9-15(18)19-10(2)20-16/h5-9H,3-4H2,1-2H3
InChIKeyIQYZZXYAHCZEQR-UHFFFAOYSA-N
XLogP4.29
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-(6-amino-2-methylpyrimidin-4-yl)oxy-4-methylchromen-2-one
CID 80866814
7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-propylchromen-2-one
CID 7917685
(2-oxo-4-propylchromen-7-yl) 2-chlorobenzoate
CID 2730629
7-(3-oxobutan-2-yloxy)-4-propylchromen-2-one
CID 3729942
7-[(2S)-3-oxobutan-2-yl]oxy-4-propylchromen-2-one
CID 701574
7-(naphthalen-1-ylmethoxy)-4-propylchromen-2-one
CID 7917681
7-[(2-chloro-4-fluorophenyl)methoxy]-4-propylchromen-2-one
CID 886164
(2-oxo-4-propylchromen-7-yl) 5,6-dichloropyridine-3-carboxylate
CID 7750795
7-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-4-propylchromen-2-one
CID 112787885
7-[(2-methylnaphthalen-1-yl)methoxy]-4-propylchromen-2-one
CID 23763929
7-[(4-bromophenyl)methoxy]-4-propylchromen-2-one
CID 22310572
(2-oxo-4-propylchromen-7-yl) (E)-3-(4-chlorophenyl)prop-2-enoate
CID 7923726

Frequently Asked Questions

What is the IUPAC name of 7-(6-chloro-2-methylpyrimidin-4-yl)oxy-4-propylchromen-2-one?
The IUPAC name of 7-(6-chloro-2-methylpyrimidin-4-yl)oxy-4-propylchromen-2-one (CID 133280797) is 7-(6-chloro-2-methylpyrimidin-4-yl)oxy-4-propylchromen-2-one.
What is the SMILES notation for 7-(6-chloro-2-methylpyrimidin-4-yl)oxy-4-propylchromen-2-one?
The canonical SMILES for 7-(6-chloro-2-methylpyrimidin-4-yl)oxy-4-propylchromen-2-one is CCCc1cc(=O)oc2cc(Oc3cc(Cl)nc(C)n3)ccc12.
What is the InChIKey of 7-(6-chloro-2-methylpyrimidin-4-yl)oxy-4-propylchromen-2-one?
The InChIKey is IQYZZXYAHCZEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-3-4-11-7-17(21)23-14-8-12(5-6-13(11)14)22-16-9-15(18)19-10(2)20-16/h5-9H,3-4H2,1-2H3.
What are the key properties of 7-(6-chloro-2-methylpyrimidin-4-yl)oxy-4-propylchromen-2-one?
7-(6-chloro-2-methylpyrimidin-4-yl)oxy-4-propylchromen-2-one has a molecular weight of 330.77 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-chloro-2-methylpyrimidin-4-yl)oxy-4-propylchromen-2-one is sourced from PubChem (CID 133280797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).